1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide

C11H16ClN3O2S — CID 80692104

IUPAC1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(Cl)c(CO)s1
InChIInChI=1S/C11H16ClN3O2S/c1-13-10(17)7-4-2-3-5-15(7)11-14-9(12)8(6-16)18-11/h7,16H,2-6H2,1H3,(H,13,17)
InChIKeyOPSPDLHXIKVTMN-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.39
Rot. Bonds3

About 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide

1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 80692104) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide
PubChem CID80692104
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc(Cl)c(CO)s1
InChIInChI=1S/C11H16ClN3O2S/c1-13-10(17)7-4-2-3-5-15(7)11-14-9(12)8(6-16)18-11/h7,16H,2-6H2,1H3,(H,13,17)
InChIKeyOPSPDLHXIKVTMN-UHFFFAOYSA-N
XLogP1.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide 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-chloro-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692988
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 64623898
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpiperidine-2-carboxamide
CID 54989738
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
N-[[1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]acetamide
CID 102736651
1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80954178
methyl 4-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 54926768
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80971406
1-(5-chloro-2-hydrazinylpyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 80904855
1-[2-chloro-4-(hydroxymethyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 81151277
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide (CID 80692104) is 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc(Cl)c(CO)s1.
What is the InChIKey of 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is OPSPDLHXIKVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-13-10(17)7-4-2-3-5-15(7)11-14-9(12)8(6-16)18-11/h7,16H,2-6H2,1H3,(H,13,17).
What are the key properties of 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide?
1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 289.79 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80692104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).