2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

C9H9N5O2S — CID 47388391

IUPAC2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C9H9N5O2S/c1-5(15)11-9-12-6(4-17-9)8(16)13-7-2-3-10-14-7/h2-4H,1H3,(H,11,12,15)(H2,10,13,14,16)
InChIKeyGNTYPCAXTFZOAV-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.08
Rot. Bonds3

About 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 47388391) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID47388391
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C9H9N5O2S/c1-5(15)11-9-12-6(4-17-9)8(16)13-7-2-3-10-14-7/h2-4H,1H3,(H,11,12,15)(H2,10,13,14,16)
InChIKeyGNTYPCAXTFZOAV-UHFFFAOYSA-N
XLogP1.08
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
2-(1,3-benzodioxol-5-ylamino)-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84555032
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 47289778
3-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393399
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
2-acetamido-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 64530809
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
N-[4-[(phenylcarbamothioylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 166005650
2-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393558
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153384

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 47388391) is 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccn[nH]2)cs1.
What is the InChIKey of 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GNTYPCAXTFZOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c1-5(15)11-9-12-6(4-17-9)8(16)13-7-2-3-10-14-7/h2-4H,1H3,(H,11,12,15)(H2,10,13,14,16).
What are the key properties of 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 251.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47388391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).