4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid

C13H14N2O4S — CID 81064620

IUPAC4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1csc(-c2ccco2)n1)CC(=O)O
InChIInChI=1S/C13H14N2O4S/c1-8(5-11(16)17)6-14-12(18)9-7-20-13(15-9)10-3-2-4-19-10/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyGXCOZRWEJPVGQN-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.24
Rot. Bonds6

About 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid

4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 81064620) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
PubChem CID81064620
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1csc(-c2ccco2)n1)CC(=O)O
InChIInChI=1S/C13H14N2O4S/c1-8(5-11(16)17)6-14-12(18)9-7-20-13(15-9)10-3-2-4-19-10/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyGXCOZRWEJPVGQN-UHFFFAOYSA-N
XLogP2.24
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
(2S)-3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 114006424
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 51089742
N-(2-bromoprop-2-enyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 47438726
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
2-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111115525
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 42945684

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid (CID 81064620) is 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid is CC(CNC(=O)c1csc(-c2ccco2)n1)CC(=O)O.
What is the InChIKey of 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is GXCOZRWEJPVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8(5-11(16)17)6-14-12(18)9-7-20-13(15-9)10-3-2-4-19-10/h2-4,7-8H,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 81064620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).