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

C19H15FN6OS — CID 176858783

IUPACN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
SMILESCc1ccnc(-c2csc(NC(=O)c3cnnn3-c3cccc(F)c3)n2)c1C
InChIInChI=1S/C19H15FN6OS/c1-11-6-7-21-17(12(11)2)15-10-28-19(23-15)24-18(27)16-9-22-25-26(16)14-5-3-4-13(20)8-14/h3-10H,1-2H3,(H,23,24,27)
InChIKeyAGZDAJWGPXQWFF-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.79
Rot. Bonds4

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

N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide (PubChem CID 176858783) has the molecular formula C19H15FN6OS and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
PubChem CID176858783
Molecular FormulaC19H15FN6OS
Molecular Weight394.44 g/mol
Exact Mass394.10
IUPAC NameN-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide
SMILESCc1ccnc(-c2csc(NC(=O)c3cnnn3-c3cccc(F)c3)n2)c1C
InChIInChI=1S/C19H15FN6OS/c1-11-6-7-21-17(12(11)2)15-10-28-19(23-15)24-18(27)16-9-22-25-26(16)14-5-3-4-13(20)8-14/h3-10H,1-2H3,(H,23,24,27)
InChIKeyAGZDAJWGPXQWFF-UHFFFAOYSA-N
XLogP3.79
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 176859373
N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176858440
N-[4-(3-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-2-yltriazole-4-carboxamide
CID 176859838
N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-4-yltriazole-4-carboxamide
CID 176859975
N-[4-(6-prop-1-ynyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176859622
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176859253
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)pyridine-3-carboxamide
CID 176859725
3-pyridin-4-yl-N-(4-quinolin-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 176859666
N-[4-(5-ethoxy-2-pyridinyl)-1,3-thiazol-2-yl]-3-pyrimidin-5-yltriazole-4-carboxamide
CID 176858978
4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176858699
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide (CID 176858783) is N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide is Cc1ccnc(-c2csc(NC(=O)c3cnnn3-c3cccc(F)c3)n2)c1C.
What is the InChIKey of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide?
The InChIKey is AGZDAJWGPXQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6OS/c1-11-6-7-21-17(12(11)2)15-10-28-19(23-15)24-18(27)16-9-22-25-26(16)14-5-3-4-13(20)8-14/h3-10H,1-2H3,(H,23,24,27).
What are the key properties of N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide?
N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-3-(3-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 176858783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).