methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate

C16H24N2O3S — CID 56789284

IUPACmethyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CCc2csc(C)n2)CCC(C)CC1
InChIInChI=1S/C16H24N2O3S/c1-11-6-8-16(9-7-11,15(20)21-3)18-14(19)5-4-13-10-22-12(2)17-13/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyJQNOATQQWFQUEC-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.62
Rot. Bonds5

About methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate

methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate (PubChem CID 56789284) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
PubChem CID56789284
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Namemethyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CCc2csc(C)n2)CCC(C)CC1
InChIInChI=1S/C16H24N2O3S/c1-11-6-8-16(9-7-11,15(20)21-3)18-14(19)5-4-13-10-22-12(2)17-13/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyJQNOATQQWFQUEC-UHFFFAOYSA-N
XLogP2.62
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

1-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]cyclopropane-1-carboxylic acid
CID 120530435
methyl 3-[2-(1-amino-4-methylcyclohexyl)-1,3-thiazol-4-yl]propanoate
CID 107039449
methyl 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55979639
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate
CID 119733667
methyl 4-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoylamino]cyclohexane-1-carboxylate
CID 55808660
methyl 4-methyl-1-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoylamino]cyclohexane-1-carboxylate
CID 55809058
methyl 4-methyl-1-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119733666
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65119811
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
N-(3,4-dimethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332807

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate (CID 56789284) is methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)CCc2csc(C)n2)CCC(C)CC1.
What is the InChIKey of methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is JQNOATQQWFQUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-6-8-16(9-7-11,15(20)21-3)18-14(19)5-4-13-10-22-12(2)17-13/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate?
methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 56789284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).