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

C13H20N2O2S — CID 113306887

IUPACmethyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2(C)CCCCC2)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-10(11(16)17-3)14-12(18-9)15-13(2)7-5-4-6-8-13/h4-8H2,1-3H3,(H,14,15)
InChIKeyQUNIXCLUCXDAHA-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.37
Rot. Bonds3

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

methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 113306887) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID113306887
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC2(C)CCCCC2)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-10(11(16)17-3)14-12(18-9)15-13(2)7-5-4-6-8-13/h4-8H2,1-3H3,(H,14,15)
InChIKeyQUNIXCLUCXDAHA-UHFFFAOYSA-N
XLogP3.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 113307287
methyl 2-(3-ethylpentan-3-ylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307209
5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 113306891
methyl 5-acetyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697274
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 2-[(2-methoxy-2-oxoethyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423220
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
CID 103199747
methyl 2-[(2,2-dimethyloxan-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 83039056
methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
CID 115423629
methyl 5-methyl-2-(3-methylpentan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 106331938
methyl 5-methyl-2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-4-carboxylate
CID 115423500
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (CID 113306887) is methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC2(C)CCCCC2)sc1C.
What is the InChIKey of methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is QUNIXCLUCXDAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-10(11(16)17-3)14-12(18-9)15-13(2)7-5-4-6-8-13/h4-8H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).