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

C13H20N2O2S — CID 115424126

IUPACmethyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC2CCCCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-15(8-10-6-4-3-5-7-10)13-14-11(9-18-13)12(16)17-2/h9-10H,3-8H2,1-2H3
InChIKeyHDCRUCGMJBONRA-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.95
Rot. Bonds4

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

methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 115424126) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID115424126
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N(C)CC2CCCCC2)n1
InChIInChI=1S/C13H20N2O2S/c1-15(8-10-6-4-3-5-7-10)13-14-11(9-18-13)12(16)17-2/h9-10H,3-8H2,1-2H3
InChIKeyHDCRUCGMJBONRA-UHFFFAOYSA-N
XLogP2.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate (CID 115424126) is methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N(C)CC2CCCCC2)n1.
What is the InChIKey of methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is HDCRUCGMJBONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(8-10-6-4-3-5-7-10)13-14-11(9-18-13)12(16)17-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate?
methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclohexylmethyl(methyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).