2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride

C16H21Cl2N3OS2 — CID 119555874

IUPAC2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C16H20ClN3OS2.ClH/c1-10-14(23-16(20-10)12-4-5-13(17)22-12)15(21)19-8-6-11-3-2-7-18-9-11;/h4-5,11,18H,2-3,6-9H2,1H3,(H,19,21);1H
InChIKeySMTZRJVOLJTKLH-UHFFFAOYSA-N
MW406.40 g/mol
LogP4.37
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride

2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119555874) has the molecular formula C16H21Cl2N3OS2 and a molecular weight of 406.40 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119555874
Molecular FormulaC16H21Cl2N3OS2
Molecular Weight406.40 g/mol
Exact Mass405.05
IUPAC Name2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCC1CCCNC1.Cl
InChIInChI=1S/C16H20ClN3OS2.ClH/c1-10-14(23-16(20-10)12-4-5-13(17)22-12)15(21)19-8-6-11-3-2-7-18-9-11;/h4-5,11,18H,2-3,6-9H2,1H3,(H,19,21);1H
InChIKeySMTZRJVOLJTKLH-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119558785
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119510760
4-methyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119534158
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 119536560
3-chloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 126786471
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3,6-dichloro-N-(2-piperidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 119558468
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
2-(5-chlorothiophen-2-yl)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 167810583

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 119555874) is 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCCC1CCCNC1.Cl.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is SMTZRJVOLJTKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS2.ClH/c1-10-14(23-16(20-10)12-4-5-13(17)22-12)15(21)19-8-6-11-3-2-7-18-9-11;/h4-5,11,18H,2-3,6-9H2,1H3,(H,19,21);1H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 406.40 g/mol, XLogP of 4.37, 5 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)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119555874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).