N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C20H14N4OS — CID 19164164

IUPACN-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C#N)cc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H14N4OS/c1-13-18(19(25)22-16-9-7-14(11-21)8-10-16)26-20-23-17(12-24(13)20)15-5-3-2-4-6-15/h2-10,12H,1H3,(H,22,25)
InChIKeyGJERQPBAEHCGRY-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.50
Rot. Bonds3

About N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 19164164) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID19164164
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC NameN-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C#N)cc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H14N4OS/c1-13-18(19(25)22-16-9-7-14(11-21)8-10-16)26-20-23-17(12-24(13)20)15-5-3-2-4-6-15/h2-10,12H,1H3,(H,22,25)
InChIKeyGJERQPBAEHCGRY-UHFFFAOYSA-N
XLogP4.50
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662
butyl 4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)amino]benzoate
CID 19164146
3-methyl-N-[4-(2-methylpropylsulfamoyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164193
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3610143
N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080139
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861750
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031637
N-(4-ethoxyphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348992
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 90626025
N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953558

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 19164164) is N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccc(C#N)cc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is GJERQPBAEHCGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-13-18(19(25)22-16-9-7-14(11-21)8-10-16)26-20-23-17(12-24(13)20)15-5-3-2-4-6-15/h2-10,12H,1H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 19164164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).