5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

C8H8N4OS — CID 24744458

IUPAC5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nccs2)n[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-4-6(12-11-5)7(13)10-8-9-2-3-14-8/h2-4H,1H3,(H,11,12)(H,9,10,13)
InChIKeyDLWVINILGBVQRW-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.43
Rot. Bonds2

About 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 24744458) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID24744458
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nccs2)n[nH]1
InChIInChI=1S/C8H8N4OS/c1-5-4-6(12-11-5)7(13)10-8-9-2-3-14-8/h2-4H,1H3,(H,11,12)(H,9,10,13)
InChIKeyDLWVINILGBVQRW-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide (CID 24744458) is 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nccs2)n[nH]1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is DLWVINILGBVQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-4-6(12-11-5)7(13)10-8-9-2-3-14-8/h2-4H,1H3,(H,11,12)(H,9,10,13).
What are the key properties of 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 208.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24744458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).