3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide

C18H13FN6OS — CID 176859373

IUPAC3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2cnnn2-c2cccc(F)c2)n1
InChIInChI=1S/C18H13FN6OS/c1-11-4-3-7-20-16(11)14-10-27-18(22-14)23-17(26)15-9-21-24-25(15)13-6-2-5-12(19)8-13/h2-10H,1H3,(H,22,23,26)
InChIKeyICBOUGWCDFNFQV-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.49
Rot. Bonds4

About 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide

3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide (PubChem CID 176859373) has the molecular formula C18H13FN6OS and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
PubChem CID176859373
Molecular FormulaC18H13FN6OS
Molecular Weight380.41 g/mol
Exact Mass380.09
IUPAC Name3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2cnnn2-c2cccc(F)c2)n1
InChIInChI=1S/C18H13FN6OS/c1-11-4-3-7-20-16(11)14-10-27-18(22-14)23-17(26)15-9-21-24-25(15)13-6-2-5-12(19)8-13/h2-10H,1H3,(H,22,23,26)
InChIKeyICBOUGWCDFNFQV-UHFFFAOYSA-N
XLogP3.49
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
CID 176858783
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176858440
4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176858699
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838
1-(3-chlorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-6-oxopyridine-3-carboxamide
CID 176858471
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 176859760
1-[(2,6-difluorophenyl)methyl]-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-oxopyridine-4-carboxamide
CID 176858663
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrazin-2-yl-1,2-oxazole-4-carboxamide
CID 176859817
2-(4-fluoro-3-methoxyphenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 176859316
N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide (CID 176859373) is 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2cnnn2-c2cccc(F)c2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
The InChIKey is ICBOUGWCDFNFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6OS/c1-11-4-3-7-20-16(11)14-10-27-18(22-14)23-17(26)15-9-21-24-25(15)13-6-2-5-12(19)8-13/h2-10H,1H3,(H,22,23,26).
What are the key properties of 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide?
3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 176859373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).