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

C14H13N5OS — CID 16952767

IUPAC2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccncc3)cs2)n(C)n1
InChIInChI=1S/C14H13N5OS/c1-9-7-12(19(2)18-9)13(20)17-14-16-11(8-21-14)10-3-5-15-6-4-10/h3-8H,1-2H3,(H,16,17,20)
InChIKeyZWZGJMSAOPDLHV-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.50
Rot. Bonds3

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

2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 16952767) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID16952767
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccncc3)cs2)n(C)n1
InChIInChI=1S/C14H13N5OS/c1-9-7-12(19(2)18-9)13(20)17-14-16-11(8-21-14)10-3-5-15-6-4-10/h3-8H,1-2H3,(H,16,17,20)
InChIKeyZWZGJMSAOPDLHV-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
2-ethyl-5-methyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 42111320
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110443762
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
N-(1,3-benzothiazol-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 16952689
N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 46971588
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 16952767) is 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccncc3)cs2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is ZWZGJMSAOPDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-7-12(19(2)18-9)13(20)17-14-16-11(8-21-14)10-3-5-15-6-4-10/h3-8H,1-2H3,(H,16,17,20).
What are the key properties of 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 16952767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).