methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate

C14H21ClN2O2S — CID 61450285

IUPACmethyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
SMILESCCC1CCC(N(C)c2nc(Cl)c(C(=O)OC)s2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-4-9-5-7-10(8-6-9)17(2)14-16-12(15)11(20-14)13(18)19-3/h9-10H,4-8H2,1-3H3
InChIKeyIAQQBZWDHDRZLI-UHFFFAOYSA-N
MW316.85 g/mol
LogP3.99
Rot. Bonds4

About methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 61450285) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
PubChem CID61450285
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Namemethyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate
SMILESCCC1CCC(N(C)c2nc(Cl)c(C(=O)OC)s2)CC1
InChIInChI=1S/C14H21ClN2O2S/c1-4-9-5-7-10(8-6-9)17(2)14-16-12(15)11(20-14)13(18)19-3/h9-10H,4-8H2,1-3H3
InChIKeyIAQQBZWDHDRZLI-UHFFFAOYSA-N
XLogP3.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-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 methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate (CID 61450285) is methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate is CCC1CCC(N(C)c2nc(Cl)c(C(=O)OC)s2)CC1.
What is the InChIKey of methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is IAQQBZWDHDRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-4-9-5-7-10(8-6-9)17(2)14-16-12(15)11(20-14)13(18)19-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 316.85 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 61450285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).