4-(1,3-thiazol-2-ylamino)butanoic acid

C7H10N2O2S — CID 24699660

IUPAC4-(1,3-thiazol-2-ylamino)butanoic acid
SMILESO=C(O)CCCNc1nccs1
InChIInChI=1S/C7H10N2O2S/c10-6(11)2-1-3-8-7-9-4-5-12-7/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKeyAIMCTKBNNMWKKB-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.42
Rot. Bonds5

About 4-(1,3-thiazol-2-ylamino)butanoic acid

4-(1,3-thiazol-2-ylamino)butanoic acid (PubChem CID 24699660) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylamino)butanoic acid
PubChem CID24699660
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-(1,3-thiazol-2-ylamino)butanoic acid
SMILESO=C(O)CCCNc1nccs1
InChIInChI=1S/C7H10N2O2S/c10-6(11)2-1-3-8-7-9-4-5-12-7/h4-5H,1-3H2,(H,8,9)(H,10,11)
InChIKeyAIMCTKBNNMWKKB-UHFFFAOYSA-N
XLogP1.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,3-thiazol-2-ylamino)butanoic 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-Thiazol-2-yl-succinamic acid
CID 255363
N-(2-Thiazolyl)glutaramic acid
CID 719801
N-Thiazol-2-yl-succinamic acid methyl ester
CID 667794
3-((1,3-Thiazol-2-yl)amino)propanoic acid
CID 10559109
2-((1,3-Thiazol-2-yl)amino)acetic acid
CID 302150
2-Thiazolealanine
CID 5488184
Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate
CID 4779137
N-(1,3-thiazol-2-yl)butanamide
CID 3621821
2-[(1,3-Thiazol-2-yl)carbamoyl]acetic acid
CID 12655699
Ethyl 4-oxo-4-(thiazol-2-ylamino)butanoate
CID 28270039
2,2-Difluoro-3-(1,3-thiazol-2-ylamino)propanoic acid
CID 130600679
(2R)-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 150872

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylamino)butanoic acid?
The IUPAC name of 4-(1,3-thiazol-2-ylamino)butanoic acid (CID 24699660) is 4-(1,3-thiazol-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(1,3-thiazol-2-ylamino)butanoic acid?
The canonical SMILES for 4-(1,3-thiazol-2-ylamino)butanoic acid is O=C(O)CCCNc1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-ylamino)butanoic acid?
The InChIKey is AIMCTKBNNMWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-6(11)2-1-3-8-7-9-4-5-12-7/h4-5H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 4-(1,3-thiazol-2-ylamino)butanoic acid?
4-(1,3-thiazol-2-ylamino)butanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylamino)butanoic acid is sourced from PubChem (CID 24699660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).