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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Related Compounds

1-[2-[cyclopentylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544442
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568734
methyl 2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 105420744
3-[2-[cyclohexylmethyl(methyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487127
methyl 2-[(2-amino-2-oxoethyl)-methylamino]-1,3-thiazole-4-carboxylate
CID 70845802
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
methyl 2-[(2-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423885
methyl 2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307307
methyl 2-[[3-cyclopentylpropanoyl(cyclopropyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766827
methyl 2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113307008

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).