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

C15H18N2O4S — CID 119253767

IUPAC2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1csc(-c2ccoc2)n1)C(=O)O
InChIInChI=1S/C15H18N2O4S/c1-9(2)5-11(15(19)20)6-16-13(18)12-8-22-14(17-12)10-3-4-21-7-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPIUIXSKQOVSXBG-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.88
Rot. Bonds7

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

2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119253767) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119253767
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1csc(-c2ccoc2)n1)C(=O)O
InChIInChI=1S/C15H18N2O4S/c1-9(2)5-11(15(19)20)6-16-13(18)12-8-22-14(17-12)10-3-4-21-7-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPIUIXSKQOVSXBG-UHFFFAOYSA-N
XLogP2.88
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119363475
4-methyl-2-[[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methyl]pentanoic acid
CID 119253199
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-2,3-dimethylbutanoic acid
CID 97337419
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
2-(furan-3-yl)-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111484969
2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95616913
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
2-[ethyl-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119206590
2-(furan-3-yl)-N-(pyrrolidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119514774
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid (CID 119253767) is 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)c1csc(-c2ccoc2)n1)C(=O)O.
What is the InChIKey of 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is PIUIXSKQOVSXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9(2)5-11(15(19)20)6-16-13(18)12-8-22-14(17-12)10-3-4-21-7-10/h3-4,7-9,11H,5-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 322.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).