2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide

C19H16F2N4O3S — CID 71261555

IUPAC2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cncnc1O[C@H]1CC[C@@H](O)C1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O3S/c20-12-2-1-3-13(21)16(12)19-25-15(8-29-19)17(27)24-14-7-22-9-23-18(14)28-11-5-4-10(26)6-11/h1-3,7-11,26H,4-6H2,(H,24,27)/t10-,11+/m1/s1
InChIKeyVQICMIAPHYNJGI-MNOVXSKESA-N
MW418.43 g/mol
LogP3.42
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71261555) has the molecular formula C19H16F2N4O3S and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID71261555
Molecular FormulaC19H16F2N4O3S
Molecular Weight418.43 g/mol
Exact Mass418.09
IUPAC Name2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cncnc1O[C@H]1CC[C@@H](O)C1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C19H16F2N4O3S/c20-12-2-1-3-13(21)16(12)19-25-15(8-29-19)17(27)24-14-7-22-9-23-18(14)28-11-5-4-10(26)6-11/h1-3,7-11,26H,4-6H2,(H,24,27)/t10-,11+/m1/s1
InChIKeyVQICMIAPHYNJGI-MNOVXSKESA-N
XLogP3.42
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262725
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741
cyclohexanol;2-(2,6-difluorophenyl)-N-(4-oxo-1H-pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 144524856
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
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
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
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-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
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
N-[3-(4-aminopiperidine-1-carbonyl)-4-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 177371019

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide (CID 71261555) is 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cncnc1O[C@H]1CC[C@@H](O)C1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VQICMIAPHYNJGI-MNOVXSKESA-N. The full InChI is InChI=1S/C19H16F2N4O3S/c20-12-2-1-3-13(21)16(12)19-25-15(8-29-19)17(27)24-14-7-22-9-23-18(14)28-11-5-4-10(26)6-11/h1-3,7-11,26H,4-6H2,(H,24,27)/t10-,11+/m1/s1.
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71261555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).