4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid

C11H18N2O4S2 — CID 122068892

IUPAC4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCCc1ncc(S(=O)(=O)NC(C)(C)CCC(=O)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-4-8-12-7-10(18-8)19(16,17)13-11(2,3)6-5-9(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyREDMEOLZTHERLF-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.63
Rot. Bonds7

About 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid

4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 122068892) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid
PubChem CID122068892
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid
SMILESCCc1ncc(S(=O)(=O)NC(C)(C)CCC(=O)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-4-8-12-7-10(18-8)19(16,17)13-11(2,3)6-5-9(14)15/h7,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyREDMEOLZTHERLF-UHFFFAOYSA-N
XLogP1.63
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-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

2-ethyl-1,3-thiazole-5-sulfonamide
CID 86037919
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
4-[(5-bromo-3-pyridinyl)sulfonylamino]-4-methylpentanoic acid
CID 62043738
4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-methylpentanoic acid
CID 55030430
2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 137443476
4-[(2,6-dichlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 62044183
N-[amino-(2-ethyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]acetamide
CID 146618326
4-[(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119203715
4-(furan-3-ylsulfonylamino)-4-methylpentanoic acid
CID 122068780
4-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122068851
3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 167945305
4-methyl-4-[(5-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 122059076

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid (CID 122068892) is 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid is CCc1ncc(S(=O)(=O)NC(C)(C)CCC(=O)O)s1.
What is the InChIKey of 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is REDMEOLZTHERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-4-8-12-7-10(18-8)19(16,17)13-11(2,3)6-5-9(14)15/h7,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid?
4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 306.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122068892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).