2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

C15H13N5O2S — CID 84550859

IUPAC2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C15H13N5O2S/c21-13(8-10-4-2-1-3-5-10)19-15-17-11(9-23-15)14(22)18-12-6-7-16-20-12/h1-7,9H,8H2,(H,17,19,21)(H2,16,18,20,22)
InChIKeyDRKDRNOHQDFOPI-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.30
Rot. Bonds5

About 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 84550859) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID84550859
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccccc1)Nc1nc(C(=O)Nc2ccn[nH]2)cs1
InChIInChI=1S/C15H13N5O2S/c21-13(8-10-4-2-1-3-5-10)19-15-17-11(9-23-15)14(22)18-12-6-7-16-20-12/h1-7,9H,8H2,(H,17,19,21)(H2,16,18,20,22)
InChIKeyDRKDRNOHQDFOPI-UHFFFAOYSA-N
XLogP2.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 47388391
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-[(4-fluorophenyl)methyl]-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555777
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550840
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550687

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 84550859) is 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(Cc1ccccc1)Nc1nc(C(=O)Nc2ccn[nH]2)cs1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DRKDRNOHQDFOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-13(8-10-4-2-1-3-5-10)19-15-17-11(9-23-15)14(22)18-12-6-7-16-20-12/h1-7,9H,8H2,(H,17,19,21)(H2,16,18,20,22).
What are the key properties of 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).