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

C14H16N2O4S — CID 119363475

IUPAC(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-8(2)5-10(14(18)19)15-12(17)11-7-21-13(16-11)9-3-4-20-6-9/h3-4,6-8,10H,5H2,1-2H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyKLVQVRXDHPVFMH-SNVBAGLBSA-N
MW308.36 g/mol
LogP2.63
Rot. Bonds6

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

(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119363475) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119363475
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c1-8(2)5-10(14(18)19)15-12(17)11-7-21-13(16-11)9-3-4-20-6-9/h3-4,6-8,10H,5H2,1-2H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyKLVQVRXDHPVFMH-SNVBAGLBSA-N
XLogP2.63
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253767
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
4-methyl-2-[[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119188692
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95616913
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-2,3-dimethylbutanoic acid
CID 97337419
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 119364265
2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353357
(2S)-4-methyl-2-[[2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid (CID 119363475) is (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1csc(-c2ccoc2)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is KLVQVRXDHPVFMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-8(2)5-10(14(18)19)15-12(17)11-7-21-13(16-11)9-3-4-20-6-9/h3-4,6-8,10H,5H2,1-2H3,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 308.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).