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

C14H22N2O2S — CID 80570343

IUPACmethyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CCCCC2C)nc1C
InChIInChI=1S/C14H22N2O2S/c1-9-6-4-5-7-11(9)8-15-14-16-10(2)12(19-14)13(17)18-3/h9,11H,4-8H2,1-3H3,(H,15,16)
InChIKeyWWDSNTOUOJPKKI-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.48
Rot. Bonds4

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

methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 80570343) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
PubChem CID80570343
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Namemethyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NCC2CCCCC2C)nc1C
InChIInChI=1S/C14H22N2O2S/c1-9-6-4-5-7-11(9)8-15-14-16-10(2)12(19-14)13(17)18-3/h9,11H,4-8H2,1-3H3,(H,15,16)
InChIKeyWWDSNTOUOJPKKI-UHFFFAOYSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate (CID 80570343) is methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NCC2CCCCC2C)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is WWDSNTOUOJPKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-6-4-5-7-11(9)8-15-14-16-10(2)12(19-14)13(17)18-3/h9,11H,4-8H2,1-3H3,(H,15,16).
What are the key properties of methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 282.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).