N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide

C19H15FN6OS — CID 91624298

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCc1nc(NC(=O)c2nnn(-c3ccccc3F)c2-c2ccncc2)sc1C
InChIInChI=1S/C19H15FN6OS/c1-11-12(2)28-19(22-11)23-18(27)16-17(13-7-9-21-10-8-13)26(25-24-16)15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H,22,23,27)
InChIKeyNWDKIJURHUWUFZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.79
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide (PubChem CID 91624298) has the molecular formula C19H15FN6OS and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
PubChem CID91624298
Molecular FormulaC19H15FN6OS
Molecular Weight394.44 g/mol
Exact Mass394.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCc1nc(NC(=O)c2nnn(-c3ccccc3F)c2-c2ccncc2)sc1C
InChIInChI=1S/C19H15FN6OS/c1-11-12(2)28-19(22-11)23-18(27)16-17(13-7-9-21-10-8-13)26(25-24-16)15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H,22,23,27)
InChIKeyNWDKIJURHUWUFZ-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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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide (CID 91624298) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide is Cc1nc(NC(=O)c2nnn(-c3ccccc3F)c2-c2ccncc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The InChIKey is NWDKIJURHUWUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6OS/c1-11-12(2)28-19(22-11)23-18(27)16-17(13-7-9-21-10-8-13)26(25-24-16)15-6-4-3-5-14(15)20/h3-10H,1-2H3,(H,22,23,27).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-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-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 91624298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).