N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C21H19F2N5O3S — CID 71262725

IUPACN-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)N1CCC(Oc2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1
InChIInChI=1S/C21H19F2N5O3S/c22-13-2-1-3-14(23)18(13)20-27-16(11-32-20)19(29)26-15-10-25-7-4-17(15)31-12-5-8-28(9-6-12)21(24)30/h1-4,7,10-12H,5-6,8-9H2,(H2,24,30)(H,26,29)
InChIKeyBGIQTJNNEQLXND-UHFFFAOYSA-N
MW459.48 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71262725) has the molecular formula C21H19F2N5O3S and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71262725
Molecular FormulaC21H19F2N5O3S
Molecular Weight459.48 g/mol
Exact Mass459.12
IUPAC NameN-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)N1CCC(Oc2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1
InChIInChI=1S/C21H19F2N5O3S/c22-13-2-1-3-14(23)18(13)20-27-16(11-32-20)19(29)26-15-10-25-7-4-17(15)31-12-5-8-28(9-6-12)21(24)30/h1-4,7,10-12H,5-6,8-9H2,(H2,24,30)(H,26,29)
InChIKeyBGIQTJNNEQLXND-UHFFFAOYSA-N
XLogP3.66
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019
2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261555
N-[4-(3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide;ethane
CID 144524844
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
N-[4-[(1R,3R,4S,5S)-3-amino-4-fluoro-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455739
N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67500033
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74953869
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143858623
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2-fluoro-6-sulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 164928301
N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744496

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 71262725) is N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)N1CCC(Oc2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC1.
What is the InChIKey of N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BGIQTJNNEQLXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O3S/c22-13-2-1-3-14(23)18(13)20-27-16(11-32-20)19(29)26-15-10-25-7-4-17(15)31-12-5-8-28(9-6-12)21(24)30/h1-4,7,10-12H,5-6,8-9H2,(H2,24,30)(H,26,29).
What are the key properties of N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).