[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C13H19N3O3S — CID 8646690

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C13H19N3O3S/c1-8-11(12(14)20-16-8)13(18)19-7-10(17)15-9-5-3-2-4-6-9/h9H,2-7,14H2,1H3,(H,15,17)
InChIKeyONIKGYUVOBCNGH-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.64
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 8646690) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID8646690
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C13H19N3O3S/c1-8-11(12(14)20-16-8)13(18)19-7-10(17)15-9-5-3-2-4-6-9/h9H,2-7,14H2,1H3,(H,15,17)
InChIKeyONIKGYUVOBCNGH-UHFFFAOYSA-N
XLogP1.64
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 8646690) is [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate is Cc1nsc(N)c1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is ONIKGYUVOBCNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-11(12(14)20-16-8)13(18)19-7-10(17)15-9-5-3-2-4-6-9/h9H,2-7,14H2,1H3,(H,15,17).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 8646690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).