butyl 5-amino-1,3-thiazole-2-carboxylate

C8H12N2O2S — CID 73011162

IUPACbutyl 5-amino-1,3-thiazole-2-carboxylate
SMILESCCCCOC(=O)c1ncc(N)s1
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-12-8(11)7-10-5-6(9)13-7/h5H,2-4,9H2,1H3
InChIKeyWOSHEIVUVFMIPO-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.68
Rot. Bonds4

About butyl 5-amino-1,3-thiazole-2-carboxylate

butyl 5-amino-1,3-thiazole-2-carboxylate (PubChem CID 73011162) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is butyl 5-amino-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namebutyl 5-amino-1,3-thiazole-2-carboxylate
PubChem CID73011162
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namebutyl 5-amino-1,3-thiazole-2-carboxylate
SMILESCCCCOC(=O)c1ncc(N)s1
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-12-8(11)7-10-5-6(9)13-7/h5H,2-4,9H2,1H3
InChIKeyWOSHEIVUVFMIPO-UHFFFAOYSA-N
XLogP1.68
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 5-amino-1,3-thiazole-2-carboxylate 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

Ethyl 5-amino-1,3-thiazole-2-carboxylate
CID 21955445
Ethyl 5-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-2-carboxylate
CID 46942156
Lithium(1+) 5-amino-1,3-thiazole-2-carboxylate
CID 155822131
5-Aminothiazole-2-carboxylic acid
CID 257148
Ethyl 2-(1,3-thiazol-5-ylamino)acetate
CID 22134920
2-(4-Morpholinylcarbonyl)-1,3-thiazol-5-amine
CID 22397226
Ethyl 2-(1,3-thiazol-2-ylmethylamino)acetate
CID 61284249
2-(Methoxymethyl)-1,3-thiazol-5-amine
CID 68295861
Tert-butyl 5-[(2-ethoxy-2-oxoethyl)amino]-1,3-thiazole-2-carboxylate
CID 69953048
5-(Boc-amino)thiazole-2-carboxylic acid
CID 72208000
Methyl 5-aminothiazole-2-carboxylate
CID 72208278
5-Aminothiazole 2-mercaptopropionic acid ethyl ester
CID 86611214

Frequently Asked Questions

What is the IUPAC name of butyl 5-amino-1,3-thiazole-2-carboxylate?
The IUPAC name of butyl 5-amino-1,3-thiazole-2-carboxylate (CID 73011162) is butyl 5-amino-1,3-thiazole-2-carboxylate.
What is the SMILES notation for butyl 5-amino-1,3-thiazole-2-carboxylate?
The canonical SMILES for butyl 5-amino-1,3-thiazole-2-carboxylate is CCCCOC(=O)c1ncc(N)s1.
What is the InChIKey of butyl 5-amino-1,3-thiazole-2-carboxylate?
The InChIKey is WOSHEIVUVFMIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-4-12-8(11)7-10-5-6(9)13-7/h5H,2-4,9H2,1H3.
What are the key properties of butyl 5-amino-1,3-thiazole-2-carboxylate?
butyl 5-amino-1,3-thiazole-2-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 5-amino-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 73011162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).