4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid

C11H16N2O3S — CID 6465782

IUPAC4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
SMILESCC(C)(C)c1csc(NC(=O)CCC(=O)O)n1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)7-6-17-10(12-7)13-8(14)4-5-9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyLTEGOGTWQQWAHO-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.24
Rot. Bonds4

About 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid

4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid (PubChem CID 6465782) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
PubChem CID6465782
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
SMILESCC(C)(C)c1csc(NC(=O)CCC(=O)O)n1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)7-6-17-10(12-7)13-8(14)4-5-9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyLTEGOGTWQQWAHO-UHFFFAOYSA-N
XLogP2.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic 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

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 82014725
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254347
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 80695377
4-(4-bromophenyl)sulfonyl-N-(4-tert-butyl-1,3-thiazol-2-yl)butanamide
CID 86899870
2-(1-aminocyclobutyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 79854294
N-[3-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 18077952

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid (CID 6465782) is 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid is CC(C)(C)c1csc(NC(=O)CCC(=O)O)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is LTEGOGTWQQWAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,3)7-6-17-10(12-7)13-8(14)4-5-9(15)16/h6H,4-5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid?
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 256.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 6465782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).