2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid

C13H20N2O4S2 — CID 43353475

IUPAC2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)CCCn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C13H20N2O4S2/c1-9-8-21-13(19)15(9)6-3-4-11(16)14-10(12(17)18)5-7-20-2/h8,10H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeySAQQPPZNXZABPC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.32
Rot. Bonds9

About 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid

2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid (PubChem CID 43353475) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
PubChem CID43353475
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)CCCn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C13H20N2O4S2/c1-9-8-21-13(19)15(9)6-3-4-11(16)14-10(12(17)18)5-7-20-2/h8,10H,3-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeySAQQPPZNXZABPC-UHFFFAOYSA-N
XLogP1.32
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic 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-(but-1-en-2-ylamino)-3-[4-[(2R)-2-carboxy-2-(propanoylamino)ethyl]sulfanyl-4-oxobutanoyl]sulfanylpropanoic acid
CID 163904325
Methyl 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]acetate
CID 37835217
3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43171222
4-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43353316
2-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43353481
3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43353737
3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43354048
3-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43354053
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]acetic acid
CID 43354497
3-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43354844
4-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43355099
4-[[2-(4-Methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43355104

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid (CID 43353475) is 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid is CSCCC(NC(=O)CCCn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is SAQQPPZNXZABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-9-8-21-13(19)15(9)6-3-4-11(16)14-10(12(17)18)5-7-20-2/h8,10H,3-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid?
2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 332.45 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 43353475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).