2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C7H6N4OS — CID 67515702

IUPAC2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C7H6N4OS/c8-6(12)5-3-13-7(11-5)4-1-9-10-2-4/h1-3H,(H2,8,12)(H,9,10)
InChIKeyTUXISMRZJJOMFX-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.63
Rot. Bonds2

About 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 67515702) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID67515702
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C7H6N4OS/c8-6(12)5-3-13-7(11-5)4-1-9-10-2-4/h1-3H,(H2,8,12)(H,9,10)
InChIKeyTUXISMRZJJOMFX-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(1H-pyrazol-4-yl)-1,3-thiazole
CID 159193486
2-(1H-pyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 172595712
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 171600710
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130014
N-(3-cyano-1-methylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638741
N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129914
N-[6-amino-3-[(3R)-3-aminopiperidin-1-yl]-2-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967895
2-(5-bromo-3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 91205174
N-[5-amino-2-(4-aminopiperidin-1-yl)-3-pyridinyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 56967892
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129965
N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130069
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 67515702) is 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is TUXISMRZJJOMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-6(12)5-3-13-7(11-5)4-1-9-10-2-4/h1-3H,(H2,8,12)(H,9,10).
What are the key properties of 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67515702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).