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

C15H16ClF2N3OS — CID 119425935

IUPAC2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H15F2N3OS.ClH/c16-10-4-1-5-11(17)13(10)15-20-12(8-22-15)14(21)19-9-3-2-6-18-7-9;/h1,4-5,8-9,18H,2-3,6-7H2,(H,19,21);1H
InChIKeyAOZZRAWBQVOHHH-UHFFFAOYSA-N
MW359.83 g/mol
LogP2.99
Rot. Bonds3

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

2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119425935) has the molecular formula C15H16ClF2N3OS and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119425935
Molecular FormulaC15H16ClF2N3OS
Molecular Weight359.83 g/mol
Exact Mass359.07
IUPAC Name2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H15F2N3OS.ClH/c16-10-4-1-5-11(17)13(10)15-20-12(8-22-15)14(21)19-9-3-2-6-18-7-9;/h1,4-5,8-9,18H,2-3,6-7H2,(H,19,21);1H
InChIKeyAOZZRAWBQVOHHH-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-(2,6-difluorophenyl)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 167772025
2-(furan-3-yl)-N-[(3S)-piperidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 126776233
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
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2-(4-ethoxyphenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119424460
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
2-(5-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119452998
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119556217
1-(2,6-difluorophenyl)-3-[(3R)-piperidin-3-yl]urea;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 119425935) is 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is AOZZRAWBQVOHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS.ClH/c16-10-4-1-5-11(17)13(10)15-20-12(8-22-15)14(21)19-9-3-2-6-18-7-9;/h1,4-5,8-9,18H,2-3,6-7H2,(H,19,21);1H.
What are the key properties of 2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 359.83 g/mol, XLogP of 2.99, 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-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119425935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).