N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H16N6OS — CID 47061107

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccnc(-n4cncn4)c3)n2)c(C)c1
InChIInChI=1S/C19H16N6OS/c1-12-3-4-15(13(2)7-12)16-9-27-19(23-16)24-18(26)14-5-6-21-17(8-14)25-11-20-10-22-25/h3-11H,1-2H3,(H,23,24,26)
InChIKeyTYRQESKRRUZWBM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 47061107) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID47061107
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccnc(-n4cncn4)c3)n2)c(C)c1
InChIInChI=1S/C19H16N6OS/c1-12-3-4-15(13(2)7-12)16-9-27-19(23-16)24-18(26)14-5-6-21-17(8-14)25-11-20-10-22-25/h3-11H,1-2H3,(H,23,24,26)
InChIKeyTYRQESKRRUZWBM-UHFFFAOYSA-N
XLogP3.65
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 75470195
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587131
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
N-(4-methyl-3-nitrophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525884
4-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26073381

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 47061107) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3ccnc(-n4cncn4)c3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is TYRQESKRRUZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-12-3-4-15(13(2)7-12)16-9-27-19(23-16)24-18(26)14-5-6-21-17(8-14)25-11-20-10-22-25/h3-11H,1-2H3,(H,23,24,26).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 47061107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).