methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate

C13H18N2O3S — CID 47240129

IUPACmethyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2scnc2C)CCCCC1
InChIInChI=1S/C13H18N2O3S/c1-9-10(19-8-14-9)11(16)15-13(12(17)18-2)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyGQSQYSVLOGUZSV-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.06
Rot. Bonds3

About methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate

methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 47240129) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID47240129
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2scnc2C)CCCCC1
InChIInChI=1S/C13H18N2O3S/c1-9-10(19-8-14-9)11(16)15-13(12(17)18-2)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyGQSQYSVLOGUZSV-UHFFFAOYSA-N
XLogP2.06
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[(2-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 53604417
1-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 72048210
(2S)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 97337438
ethyl (2S)-2,3-dimethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoate
CID 97563768
7-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 24690047
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707971
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162961
1-[(2,4-Dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43172588
1-[(2,4-Dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239166
4-Methyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341422
4-Ethyl-1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341538
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate (CID 47240129) is methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2scnc2C)CCCCC1.
What is the InChIKey of methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is GQSQYSVLOGUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9-10(19-8-14-9)11(16)15-13(12(17)18-2)6-4-3-5-7-13/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 47240129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).