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

C14H13N5OS — CID 42111589

IUPAC1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)n1
InChIInChI=1S/C14H13N5OS/c1-2-19-8-6-11(18-19)13(20)17-14-16-12(9-21-14)10-5-3-4-7-15-10/h3-9H,2H2,1H3,(H,16,17,20)
InChIKeyASZGLWXJMYYKIJ-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.67
Rot. Bonds4

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

1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 42111589) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID42111589
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)n1
InChIInChI=1S/C14H13N5OS/c1-2-19-8-6-11(18-19)13(20)17-14-16-12(9-21-14)10-5-3-4-7-15-10/h3-9H,2H2,1H3,(H,16,17,20)
InChIKeyASZGLWXJMYYKIJ-UHFFFAOYSA-N
XLogP2.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrimidinecarboxamide,2-amino-6-(4-methyl-2-thiazolyl)-n-(2-pyridinylmethyl)-
CID 11313388
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CID 49677967
4-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid benzothiazol-2-ylamide
CID 749848
2-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]-N-(Pyridin-2-Yl)-1,3-Thiazole-4-Carboxamide
CID 124222752
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4782304
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 7207400
N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 2660429
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 4880352
N-(2-piperazin-1-ylphenyl)-2-pyrazol-1-yl-1,3-thiazole-4-carboxamide
CID 59332354
N-(5-methyl-1,3-thiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2468333
1,3-diphenyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2477783
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2487624

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 42111589) is 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)n1.
What is the InChIKey of 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is ASZGLWXJMYYKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-19-8-6-11(18-19)13(20)17-14-16-12(9-21-14)10-5-3-4-7-15-10/h3-9H,2H2,1H3,(H,16,17,20).
What are the key properties of 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide?
1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 42111589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).