2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid

C17H14N4O2S — CID 178012976

IUPAC2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCc2nc3cc(-c4ncc(C(=O)O)s4)cc(C#N)c3n21
InChIInChI=1S/C17H14N4O2S/c1-9-3-2-4-14-20-12-6-10(5-11(7-18)15(12)21(9)14)16-19-8-13(24-16)17(22)23/h5-6,8-9H,2-4H2,1H3,(H,22,23)
InChIKeyYFWKCKDYKVIFFE-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.63
Rot. Bonds2

About 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid

2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 178012976) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID178012976
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCc2nc3cc(-c4ncc(C(=O)O)s4)cc(C#N)c3n21
InChIInChI=1S/C17H14N4O2S/c1-9-3-2-4-14-20-12-6-10(5-11(7-18)15(12)21(9)14)16-19-8-13(24-16)17(22)23/h5-6,8-9H,2-4H2,1H3,(H,22,23)
InChIKeyYFWKCKDYKVIFFE-UHFFFAOYSA-N
XLogP3.63
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-cyano-4-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indol-8-yl)-1,3-thiazole-5-carboxylic acid
CID 178012928
2-[(4R)-6-cyano-4-methyl-3,4-dihydro-1H-[1,4]thiazino[4,3-a]indol-8-yl]-1,3-thiazole-5-carboxylic acid
CID 178012919
2-(4-cyano-6,7-dihydropyrido[1,2-a]indol-2-yl)-1,3-thiazole-5-carboxylic acid
CID 178012840
methyl 2-(3-cyano-1-azatetracyclo[7.5.0.02,7.012,14]tetradeca-2,4,6,8-tetraen-5-yl)-1,3-thiazole-5-carboxylate
CID 178012957
2-(4-cyanonaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 45257153
2-(4-cyano-5,7,8-trifluoronaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 45381838
methyl 2-(4-cyano-6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-2-yl)-1,3-thiazole-5-carboxylate
CID 178012927
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
5-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82120509
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-(4-methylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 155754631
5-[5-[(1S)-1-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)benzonitrile
CID 139438194

Frequently Asked Questions

What is the IUPAC name of 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid (CID 178012976) is 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid is CC1CCCc2nc3cc(-c4ncc(C(=O)O)s4)cc(C#N)c3n21.
What is the InChIKey of 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YFWKCKDYKVIFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-9-3-2-4-14-20-12-6-10(5-11(7-18)15(12)21(9)14)16-19-8-13(24-16)17(22)23/h5-6,8-9H,2-4H2,1H3,(H,22,23).
What are the key properties of 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid?
2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-cyano-1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 178012976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).