2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

C14H16ClN3OS2 — CID 120574509

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC1NCCCC1NC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H16ClN3OS2/c1-8-9(3-2-6-16-8)17-13(19)10-7-20-14(18-10)11-4-5-12(15)21-11/h4-5,7-9,16H,2-3,6H2,1H3,(H,17,19)
InChIKeyNOIFHYLZCCPQIF-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.40
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120574509) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID120574509
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC1NCCCC1NC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C14H16ClN3OS2/c1-8-9(3-2-6-16-8)17-13(19)10-7-20-14(18-10)11-4-5-12(15)21-11/h4-5,7-9,16H,2-3,6H2,1H3,(H,17,19)
InChIKeyNOIFHYLZCCPQIF-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119389747
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120576844
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
2-(5-bromothiophen-2-yl)-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120555124
2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120576827
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
5-(3-chlorophenyl)-N-(2-methylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 120574779
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (CID 120574509) is 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is CC1NCCCC1NC(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NOIFHYLZCCPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-8-9(3-2-6-16-8)17-13(19)10-7-20-14(18-10)11-4-5-12(15)21-11/h4-5,7-9,16H,2-3,6H2,1H3,(H,17,19).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 341.89 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120574509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).