CC1=NC(=CS1)C2=CC=C(C=C2)OCCN
이름: 2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]ethanamine
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)OCCN

Molecular Processing

Molecular formula
C12H14N2OS
Molecular weight
234.32
Exact mass
234.0827
XLogP
2.46
TPSA
48.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
66.84

Supplementary Information

InChIKey: OKRAGJBCUMVTIN-UHFFFAOYSA-N
동의어
2-[4-(2-methyl-thiazol-4-yl)-phenoxy]-ethylamineSCHEMBL6327086OKRAGJBCUMVTIN-UHFFFAOYSA-N
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