2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid

C8H10N2O2S — CID 168719751

IUPAC2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
SMILESC=CCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12)
InChIKeySVKPUZITXRBIOK-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.54
Rot. Bonds4

About 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid

2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid (PubChem CID 168719751) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
PubChem CID168719751
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid
SMILESC=CCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12)
InChIKeySVKPUZITXRBIOK-UHFFFAOYSA-N
XLogP1.54
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic 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-Amino-5-propyl-4-phosphonomethoxycarbonylthiazole
CID 22280501
2-Amino-5-(2-methylpropyl)-1,3-thiazole-4-carboxylic acid
CID 71308099
2-Amino-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 18323129
2-Amino-5-pentyl-1,3-thiazole-4-carboxylic acid
CID 87190141
2-Amino-5-butyl-1,3-thiazole-4-carboxylic acid
CID 164664245
Methyl 2-amino-5-cyclopropyl-1,3-thiazole-4-carboxylate
CID 86775516
2-Azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid
CID 168719752
2-Azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
CID 168719753
5-Propyl-2-(2,2,2-trifluoroacetamido)-1,3-thiazole-4-carboxylic acid
CID 165907298
5-(2-Methylpropyl)-2-(2,2,2-trifluoroacetamido)-1,3-thiazole-4-carboxylic acid
CID 165921673
2-Amino-5-isopropylthiazole-4-carboxylic acid
CID 10058249
2-(Diaminomethylideneamino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 10966253

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid (CID 168719751) is 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid is C=CCCc1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is SVKPUZITXRBIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2H,1,3-4H2,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-but-3-enyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 168719751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).