2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C12H12N2O4S — CID 82226434

IUPAC2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)c2ccco2)sc1C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-6(2)8-9(11(16)17)19-12(13-8)14-10(15)7-4-3-5-18-7/h3-6H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyJFMVFTCLUCUTJJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.81
Rot. Bonds4

About 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226434) has the molecular formula C12H12N2O4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226434
Molecular FormulaC12H12N2O4S
Molecular Weight280.30 g/mol
Exact Mass280.05
IUPAC Name2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)c2ccco2)sc1C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-6(2)8-9(11(16)17)19-12(13-8)14-10(15)7-4-3-5-18-7/h3-6H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyJFMVFTCLUCUTJJ-UHFFFAOYSA-N
XLogP2.81
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226440
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 17397231
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 43836729
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
N-[2-benzamido-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 39868533
N-(4-oxo-6-phenyl-1,3-thiazin-2-yl)furan-2-carboxamide
CID 175842092
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 64557656
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226434) is 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(NC(=O)c2ccco2)sc1C(=O)O.
What is the InChIKey of 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JFMVFTCLUCUTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6(2)8-9(11(16)17)19-12(13-8)14-10(15)7-4-3-5-18-7/h3-6H,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).