[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol

C11H12ClN3O2S — CID 146145103

IUPAC[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol
SMILESCOc1nsc(CNc2cnccc2CO)c1Cl
InChIInChI=1S/C11H12ClN3O2S/c1-17-11-10(12)9(18-15-11)5-14-8-4-13-3-2-7(8)6-16/h2-4,14,16H,5-6H2,1H3
InChIKeyVUMAPIHIYGDDBR-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.30
Rot. Bonds5

About [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol

[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol (PubChem CID 146145103) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol
PubChem CID146145103
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol
SMILESCOc1nsc(CNc2cnccc2CO)c1Cl
InChIInChI=1S/C11H12ClN3O2S/c1-17-11-10(12)9(18-15-11)5-14-8-4-13-3-2-7(8)6-16/h2-4,14,16H,5-6H2,1H3
InChIKeyVUMAPIHIYGDDBR-UHFFFAOYSA-N
XLogP2.30
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
CID 115749542
[3-[(2-fluoro-5-methylphenyl)methylamino]-4-pyridinyl]methanol
CID 75436066
[3-[(2,4-dimethylphenyl)methylamino]-4-pyridinyl]methanol
CID 71845475
[3-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]methanol
CID 75436061
[3-(3-methoxybutan-2-ylamino)-4-pyridinyl]methanol
CID 115922374
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methoxypyridin-3-amine
CID 75386237
(4-isoquinolin-4-yl-3-methoxy-1,2-thiazol-5-yl)methanol
CID 166368365
4-chloro-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 83167191
[3-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-pyridinyl]methanol
CID 99620226
methyl 2-[5-[[(4-chloro-3-pyridinyl)amino]methyl]thiophen-2-yl]acetate
CID 83165921
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83163614
[3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
CID 84595089

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol?
The IUPAC name of [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol (CID 146145103) is [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol is COc1nsc(CNc2cnccc2CO)c1Cl.
What is the InChIKey of [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol?
The InChIKey is VUMAPIHIYGDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-17-11-10(12)9(18-15-11)5-14-8-4-13-3-2-7(8)6-16/h2-4,14,16H,5-6H2,1H3.
What are the key properties of [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol?
[3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol has a molecular weight of 285.76 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-3-methoxy-1,2-thiazol-5-yl)methylamino]-4-pyridinyl]methanol is sourced from PubChem (CID 146145103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).