5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

C14H20N2O3S — CID 60868621

IUPAC5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CCC2CCCCC2)c1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-9-12(14(18)19)13(20-16-9)15-11(17)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyCGGIIXIRYOGDAR-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.45
Rot. Bonds5

About 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid

5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60868621) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60868621
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CCC2CCCCC2)c1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-9-12(14(18)19)13(20-16-9)15-11(17)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyCGGIIXIRYOGDAR-UHFFFAOYSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 5-[(cyclohexylcarbonyl)amino]-3-methyl-4-isothiazolecarboxylate
CID 6470295
3-Methyl-5-(3,3,3-trifluoropropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60871360
3-Methyl-5-(4,4,4-trifluorobutanoylamino)-1,2-thiazole-4-carboxylic acid
CID 65711502
5-[(4,4-Difluorocyclohexanecarbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81928944
5-[(4,4-Difluorocyclohexanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81930069
3-Methyl-5-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]-1,2-thiazole-4-carboxylic acid
CID 103309140
5-[(3,3-Difluorocyclopentanecarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114226156
5-(Butanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868983
3-Methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60871157
3-Methyl-5-(propanoylamino)-1,2-thiazole-4-carboxylic acid
CID 10036166
5-[3-(Dimethylamino)propanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 12335934
5-(2-Iodoacetamido)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 12335937

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60868621) is 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)CCC2CCCCC2)c1C(=O)O.
What is the InChIKey of 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is CGGIIXIRYOGDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-12(14(18)19)13(20-16-9)15-11(17)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexylpropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60868621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).