2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid

C14H19N3O2S — CID 39197796

IUPAC2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid
SMILESCc1nc2sc(CCC3CCCCC3)nn2c1C(=O)O
InChIInChI=1S/C14H19N3O2S/c1-9-12(13(18)19)17-14(15-9)20-11(16-17)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,18,19)
InChIKeyRKWKEMXMKHFMAL-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid

2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid (PubChem CID 39197796) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid
PubChem CID39197796
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid
SMILESCc1nc2sc(CCC3CCCCC3)nn2c1C(=O)O
InChIInChI=1S/C14H19N3O2S/c1-9-12(13(18)19)17-14(15-9)20-11(16-17)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,18,19)
InChIKeyRKWKEMXMKHFMAL-UHFFFAOYSA-N
XLogP3.31
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclohexylethyl)-6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198215
2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
CID 53163361
2-(2-cyclohexylethyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198223
7-amino-2-(3-cyclohexylpropyl)-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 10065659
4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid
CID 134386052
2-[2-(2-cyclohexylethyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 82219993
2-(2-cyclopentylethyl)-4-methyl-1,3-thiazole
CID 101058674
N-cycloheptyl-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
CID 53151772
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-cyclohexylbutan-2-one
CID 114979075
11-(cyclohexylmethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one
CID 10266231
2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965740
5-(cyclohexylmethyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167206058

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid?
The IUPAC name of 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid (CID 39197796) is 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid is Cc1nc2sc(CCC3CCCCC3)nn2c1C(=O)O.
What is the InChIKey of 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid?
The InChIKey is RKWKEMXMKHFMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-12(13(18)19)17-14(15-9)20-11(16-17)8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid?
2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylic acid is sourced from PubChem (CID 39197796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).