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

C14H17Cl2N3OS2 — CID 119510760

IUPAC2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H16ClN3OS2.ClH/c1-8-12(13(19)17-7-9-3-2-6-16-9)21-14(18-8)10-4-5-11(15)20-10;/h4-5,9,16H,2-3,6-7H2,1H3,(H,17,19);1H
InChIKeyOUTUFSVYCRPXEE-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.74
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 119510760) has the molecular formula C14H17Cl2N3OS2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID119510760
Molecular FormulaC14H17Cl2N3OS2
Molecular Weight378.35 g/mol
Exact Mass377.02
IUPAC Name2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H16ClN3OS2.ClH/c1-8-12(13(19)17-7-9-3-2-6-16-9)21-14(18-8)10-4-5-11(15)20-10;/h4-5,9,16H,2-3,6-7H2,1H3,(H,17,19);1H
InChIKeyOUTUFSVYCRPXEE-UHFFFAOYSA-N
XLogP3.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119555874
2-(5-chlorothiophen-2-yl)-N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 167810583
2-[(4-fluorophenyl)methyl]-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 119510084
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-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119445691
5-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 119510511
N-[1-(aminomethyl)cyclopentyl]-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119565568
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622366
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(9S)-6-oxaspiro[4.5]decan-9-yl]-1,3-thiazole-5-carboxamide
CID 164632096

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 119510760) is 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is OUTUFSVYCRPXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2.ClH/c1-8-12(13(19)17-7-9-3-2-6-16-9)21-14(18-8)10-4-5-11(15)20-10;/h4-5,9,16H,2-3,6-7H2,1H3,(H,17,19);1H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(5-chlorothiophen-2-yl)-4-methyl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 378.35 g/mol, XLogP of 3.74, 4 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-(pyrrolidin-2-ylmethyl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 119510760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).