cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C11H16N2O2S — CID 79392094

IUPACcyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OC1CCCCC1
InChIInChI=1S/C11H16N2O2S/c1-7-9(10(12)16-13-7)11(14)15-8-5-3-2-4-6-8/h8H,2-6,12H2,1H3
InChIKeySKRDYCAMPZNVPY-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.52
Rot. Bonds2

About cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79392094) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79392094
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namecyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCc1nsc(N)c1C(=O)OC1CCCCC1
InChIInChI=1S/C11H16N2O2S/c1-7-9(10(12)16-13-7)11(14)15-8-5-3-2-4-6-8/h8H,2-6,12H2,1H3
InChIKeySKRDYCAMPZNVPY-UHFFFAOYSA-N
XLogP2.52
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl 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 cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 79392094) is cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is Cc1nsc(N)c1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is SKRDYCAMPZNVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-9(10(12)16-13-7)11(14)15-8-5-3-2-4-6-8/h8H,2-6,12H2,1H3.
What are the key properties of cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79392094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).