1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H18N2O3S — CID 43239166

IUPAC1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NC2(C(=O)O)CCCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-8-10(19-9(2)14-8)11(16)15-13(12(17)18)6-4-3-5-7-13/h3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLVKJXSCIECHAPH-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.28
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43239166) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43239166
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(C)c(C(=O)NC2(C(=O)O)CCCCC2)s1
InChIInChI=1S/C13H18N2O3S/c1-8-10(19-9(2)14-8)11(16)15-13(12(17)18)6-4-3-5-7-13/h3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLVKJXSCIECHAPH-UHFFFAOYSA-N
XLogP2.28
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 47240129
2-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 71915659
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
(2R)-3-cyclohexyl-2-[(4-methyl-2-piperidin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 166274413
6-[(2,5-Dimethyl-1,3-thiazole-4-carbonyl)amino]-2,2-difluorospiro[3.3]heptane-6-carboxylic acid
CID 166275881
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid;hydrobromide
CID 18969514
3-[4-[(4-Methyl-2-piperidin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexyl]propanoic acid
CID 18969515
1-[(4-Methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707971
4-({[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)cyclohexanecarboxylic acid
CID 29127428
(2S,3R)-2-(2,4-dimethylthiazole-5-carboxamido)-3-methylpentanoic acid
CID 29131629
6-{[(2,4-Dimethyl-1,3-thiazol-5-yl)carbonyl]amino}hexanoic acid
CID 29132123

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43239166) is 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nc(C)c(C(=O)NC2(C(=O)O)CCCCC2)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is LVKJXSCIECHAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8-10(19-9(2)14-8)11(16)15-13(12(17)18)6-4-3-5-7-13/h3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43239166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).