2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid

C12H12N2O4S — CID 119187621

IUPAC2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cnc(-c2ccco2)s1)C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-12(2,11(16)17)14-9(15)8-6-13-10(19-8)7-4-3-5-18-7/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyCMIIHTQAJCJODY-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.00
Rot. Bonds4

About 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid

2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 119187621) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
PubChem CID119187621
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NC(=O)c1cnc(-c2ccco2)s1)C(=O)O
InChIInChI=1S/C12H12N2O4S/c1-12(2,11(16)17)14-9(15)8-6-13-10(19-8)7-4-3-5-18-7/h3-6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyCMIIHTQAJCJODY-UHFFFAOYSA-N
XLogP2.00
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119187616
N-[(2-tert-butyloxan-3-yl)methyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 86971621
N-[2-(aminomethyl)cyclopentyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
CID 119602827
2-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120577393
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974
4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid
CID 119172991
2-(furan-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 86888875
2-(furan-2-yl)-N-(3-oxaspiro[5.5]undecan-9-yl)-1,3-thiazole-5-carboxamide
CID 154796881
2-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 126782368
(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695780
4-tert-butyl-2-(furan-2-yl)-1,3-thiazole-5-carbohydrazide
CID 82439300
2-(furan-2-yl)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 126787696

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid (CID 119187621) is 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid is CC(C)(NC(=O)c1cnc(-c2ccco2)s1)C(=O)O.
What is the InChIKey of 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is CMIIHTQAJCJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-12(2,11(16)17)14-9(15)8-6-13-10(19-8)7-4-3-5-18-7/h3-6H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid?
2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 280.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).