3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol

C8H13ClN2O2S — CID 107124089

IUPAC3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S/c1-8(13,5-12)4-10-3-7-11-2-6(9)14-7/h2,10,12-13H,3-5H2,1H3
InChIKeyZCCBBFANLDUSKC-UHFFFAOYSA-N
MW236.72 g/mol
LogP0.63
Rot. Bonds5

About 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol

3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol (PubChem CID 107124089) has the molecular formula C8H13ClN2O2S and a molecular weight of 236.72 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
PubChem CID107124089
Molecular FormulaC8H13ClN2O2S
Molecular Weight236.72 g/mol
Exact Mass236.04
IUPAC Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNCc1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2O2S/c1-8(13,5-12)4-10-3-7-11-2-6(9)14-7/h2,10,12-13H,3-5H2,1H3
InChIKeyZCCBBFANLDUSKC-UHFFFAOYSA-N
XLogP0.63
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol 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

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 104879273
2-[[(5-chloro-1,3-thiazol-2-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 104879510
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2,2-dimethylpropanenitrile
CID 104881401
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 104878338
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186015
N-[(5-chloro-1,3-thiazol-2-yl)methyl]prop-2-yn-1-amine
CID 104878439
N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 130736430
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylbutan-2-amine
CID 104878932
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(5-ethyl-1,3-thiazol-2-yl)methanamine
CID 104879256
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 104879543
(2S)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 99719031
3-[(3,4-dichlorophenyl)methylamino]-2-methylpropane-1,2-diol
CID 66170447

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol (CID 107124089) is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol is CC(O)(CO)CNCc1ncc(Cl)s1.
What is the InChIKey of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
The InChIKey is ZCCBBFANLDUSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2S/c1-8(13,5-12)4-10-3-7-11-2-6(9)14-7/h2,10,12-13H,3-5H2,1H3.
What are the key properties of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol?
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol has a molecular weight of 236.72 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 107124089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).