methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate

C11H15ClN2O2S — CID 47257578

IUPACmethyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCCCC2)nc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-16-10(15)8-9(12)14-11(17-8)13-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,13,14)
InChIKeyNAYSJFVPAHEHJC-UHFFFAOYSA-N
MW274.77 g/mol
LogP3.33
Rot. Bonds3

About methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate (PubChem CID 47257578) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
PubChem CID47257578
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Namemethyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC2CCCCC2)nc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-16-10(15)8-9(12)14-11(17-8)13-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,13,14)
InChIKeyNAYSJFVPAHEHJC-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-2-(cyclohexylamino)-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

Related Compounds

methyl 4-chloro-2-[(1-cyclopentylpyrrolidin-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 133320343
methyl 4-chloro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-thiazole-5-carboxylate
CID 65470334
methyl 4-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 86814445
methyl 4-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]-1,3-thiazole-5-carboxylate
CID 103894556
4-chloro-2-(cyclobutylamino)-1,3-thiazole-5-carboxylic acid
CID 117258671
methyl 5-acetyl-2-(cycloheptylamino)-1,3-thiazole-4-carboxylate
CID 106696946
methyl 4-chloro-2-[(3-ethylsulfinylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 133338018
methyl 4-chloro-2-[(2,2-dimethyloxan-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 113336621
methyl 4-chloro-2-[(2,3-dimethylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 64921664
methyl 4-chloro-2-[(2-methylsulfanylcyclopentyl)amino]-1,3-thiazole-5-carboxylate
CID 103704048
4-chloro-2-(cyclopropylamino)-1,3-thiazole-5-carboxylic acid
CID 117258667
methyl 4-chloro-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 133336131

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate (CID 47257578) is methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC2CCCCC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is NAYSJFVPAHEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-16-10(15)8-9(12)14-11(17-8)13-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 274.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(cyclohexylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47257578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).