3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid

C14H20N2O3S — CID 106826362

IUPAC3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)C2(C)CCCCC2)c1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-9-10(12(17)18)11(20-15-9)16(3)13(19)14(2)7-5-4-6-8-14/h4-8H2,1-3H3,(H,17,18)
InChIKeyNCDKRBURJXBSIN-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.08
Rot. Bonds3

About 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 106826362) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID106826362
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)C2(C)CCCCC2)c1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-9-10(12(17)18)11(20-15-9)16(3)13(19)14(2)7-5-4-6-8-14/h4-8H2,1-3H3,(H,17,18)
InChIKeyNCDKRBURJXBSIN-UHFFFAOYSA-N
XLogP3.08
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid (CID 106826362) is 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)C2(C)CCCCC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is NCDKRBURJXBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-10(12(17)18)11(20-15-9)16(3)13(19)14(2)7-5-4-6-8-14/h4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 106826362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).