2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride

C14H14ClF2N3OS — CID 126782991

IUPAC2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H13F2N3OS.ClH/c15-9-2-1-3-10(16)12(9)14-19-11(7-21-14)13(20)18-8-4-5-17-6-8;/h1-3,7-8,17H,4-6H2,(H,18,20);1H
InChIKeyRMSUUJDDSUDKCR-UHFFFAOYSA-N
MW345.80 g/mol
LogP2.60
Rot. Bonds3

About 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride

2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 126782991) has the molecular formula C14H14ClF2N3OS and a molecular weight of 345.80 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID126782991
Molecular FormulaC14H14ClF2N3OS
Molecular Weight345.80 g/mol
Exact Mass345.05
IUPAC Name2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H13F2N3OS.ClH/c15-9-2-1-3-10(16)12(9)14-19-11(7-21-14)13(20)18-8-4-5-17-6-8;/h1-3,7-8,17H,4-6H2,(H,18,20);1H
InChIKeyRMSUUJDDSUDKCR-UHFFFAOYSA-N
XLogP2.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119452998
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996986
2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 126782991) is 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is RMSUUJDDSUDKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3OS.ClH/c15-9-2-1-3-10(16)12(9)14-19-11(7-21-14)13(20)18-8-4-5-17-6-8;/h1-3,7-8,17H,4-6H2,(H,18,20);1H.
What are the key properties of 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 345.80 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 126782991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).