2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C15H16N2O3S — CID 82226440

IUPAC2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)Cc2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-9(2)12-13(14(19)20)21-15(17-12)16-11(18)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyXFWWFIQGQYQFLS-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.15
Rot. Bonds5

About 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226440) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226440
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)Cc2ccccc2)sc1C(=O)O
InChIInChI=1S/C15H16N2O3S/c1-9(2)12-13(14(19)20)21-15(17-12)16-11(18)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKeyXFWWFIQGQYQFLS-UHFFFAOYSA-N
XLogP3.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226434
2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226430
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334
N-hydroxy-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 58121042
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 82342385
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-(1-aminoethylidene)-4-phenyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxamide
CID 163703702
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226440) is 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(NC(=O)Cc2ccccc2)sc1C(=O)O.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XFWWFIQGQYQFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)12-13(14(19)20)21-15(17-12)16-11(18)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).