N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide

C19H10FN5O2S — CID 176858540

IUPACN-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESN#Cc1cccc(-c2csc(NC(=O)c3cnoc3-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C19H10FN5O2S/c20-12-6-4-11(5-7-12)17-14(9-22-27-17)18(26)25-19-24-16(10-28-19)15-3-1-2-13(8-21)23-15/h1-7,9-10H,(H,24,25,26)
InChIKeyTYDCNCUBOABPJF-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.12
Rot. Bonds4

About N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide

N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (PubChem CID 176858540) has the molecular formula C19H10FN5O2S and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
PubChem CID176858540
Molecular FormulaC19H10FN5O2S
Molecular Weight391.39 g/mol
Exact Mass391.05
IUPAC NameN-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
SMILESN#Cc1cccc(-c2csc(NC(=O)c3cnoc3-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C19H10FN5O2S/c20-12-6-4-11(5-7-12)17-14(9-22-27-17)18(26)25-19-24-16(10-28-19)15-3-1-2-13(8-21)23-15/h1-7,9-10H,(H,24,25,26)
InChIKeyTYDCNCUBOABPJF-UHFFFAOYSA-N
XLogP4.12
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 176859247
2-(4-fluorophenyl)-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176859934
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-[6-(4-cyanophenyl)-2-pyridinyl]-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 155410127
5-cyano-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 39090613
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592556
N-[4-[6-[6-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]-3-pyridinyl]-2-pyridinyl]-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 129301562
N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 176859861
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
2-(2-cyanophenyl)sulfanyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 16549637

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide (CID 176858540) is N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is N#Cc1cccc(-c2csc(NC(=O)c3cnoc3-c3ccc(F)cc3)n2)n1.
What is the InChIKey of N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is TYDCNCUBOABPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN5O2S/c20-12-6-4-11(5-7-12)17-14(9-22-27-17)18(26)25-19-24-16(10-28-19)15-3-1-2-13(8-21)23-15/h1-7,9-10H,(H,24,25,26).
What are the key properties of N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide?
N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 176858540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).