2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide

C20H19F3N4OS — CID 118563339

IUPAC2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1=CNCC=C1N1CCC[C@H](F)C1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H19F3N4OS/c21-12-3-2-8-27(10-12)17-6-7-24-9-15(17)25-19(28)16-11-29-20(26-16)18-13(22)4-1-5-14(18)23/h1,4-6,9,11-12,24H,2-3,7-8,10H2,(H,25,28)/t12-/m0/s1
InChIKeyOPFFMCUKZOLAKH-LBPRGKRZSA-N
MW420.46 g/mol
LogP3.58
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 118563339) has the molecular formula C20H19F3N4OS and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID118563339
Molecular FormulaC20H19F3N4OS
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1=CNCC=C1N1CCC[C@H](F)C1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H19F3N4OS/c21-12-3-2-8-27(10-12)17-6-7-24-9-15(17)25-19(28)16-11-29-20(26-16)18-13(22)4-1-5-14(18)23/h1,4-6,9,11-12,24H,2-3,7-8,10H2,(H,25,28)/t12-/m0/s1
InChIKeyOPFFMCUKZOLAKH-LBPRGKRZSA-N
XLogP3.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclopropyl-5-[(2R,6R)-6-fluorooxepan-2-yl]pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 144923525
2-(2,6-difluorophenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 126782991
2-(2,6-difluorophenyl)-N-piperidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119425935
N-[5-(3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 152845077
cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 144524856
tert-butyl N-[(3S)-1-[3-[[2-(2,6-difluorophenyl)-1,3-thiazole-4-carbonyl]amino]quinolin-4-yl]piperidin-3-yl]carbamate
CID 86726654
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261832
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143858623
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119636471
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119632194

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide (CID 118563339) is 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide is O=C(NC1=CNCC=C1N1CCC[C@H](F)C1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OPFFMCUKZOLAKH-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H19F3N4OS/c21-12-3-2-8-27(10-12)17-6-7-24-9-15(17)25-19(28)16-11-29-20(26-16)18-13(22)4-1-5-14(18)23/h1,4-6,9,11-12,24H,2-3,7-8,10H2,(H,25,28)/t12-/m0/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-[(3S)-3-fluoropiperidin-1-yl]-1,2-dihydropyridin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118563339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).