5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid

C14H17N3O2S — CID 71023968

IUPAC5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid
SMILESCn1c(-c2nccs2)nc(C(=O)O)c1C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c1-17-11(9-5-3-2-4-6-9)10(14(18)19)16-12(17)13-15-7-8-20-13/h7-9H,2-6H2,1H3,(H,18,19)
InChIKeyXKEOINBHHXIEKE-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.29
Rot. Bonds3

About 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid

5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid (PubChem CID 71023968) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid
PubChem CID71023968
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid
SMILESCn1c(-c2nccs2)nc(C(=O)O)c1C1CCCCC1
InChIInChI=1S/C14H17N3O2S/c1-17-11(9-5-3-2-4-6-9)10(14(18)19)16-12(17)13-15-7-8-20-13/h7-9H,2-6H2,1H3,(H,18,19)
InChIKeyXKEOINBHHXIEKE-UHFFFAOYSA-N
XLogP3.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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formic acid;2-[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-yl]-1,3-thiazole
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9-methyl-7-oxo-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,10,12-tetraene-11-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid?
The IUPAC name of 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid (CID 71023968) is 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid is Cn1c(-c2nccs2)nc(C(=O)O)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid?
The InChIKey is XKEOINBHHXIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17-11(9-5-3-2-4-6-9)10(14(18)19)16-12(17)13-15-7-8-20-13/h7-9H,2-6H2,1H3,(H,18,19).
What are the key properties of 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid?
5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-methyl-2-(1,3-thiazol-2-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 71023968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).