ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate

C14H21N3O3S — CID 4611693

IUPACethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)NC2CCCCC2)nc1C
InChIInChI=1S/C14H21N3O3S/c1-3-20-12(18)11-9(2)15-14(21-11)17-13(19)16-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H2,15,16,17,19)
InChIKeyBAKLEVAKNUSJPS-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.08
Rot. Bonds4

About ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 4611693) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID4611693
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)NC2CCCCC2)nc1C
InChIInChI=1S/C14H21N3O3S/c1-3-20-12(18)11-9(2)15-14(21-11)17-13(19)16-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H2,15,16,17,19)
InChIKeyBAKLEVAKNUSJPS-UHFFFAOYSA-N
XLogP3.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-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 ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 4611693) is ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)NC2CCCCC2)nc1C.
What is the InChIKey of ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BAKLEVAKNUSJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-20-12(18)11-9(2)15-14(21-11)17-13(19)16-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H2,15,16,17,19).
What are the key properties of ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylcarbamoylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4611693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).