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

C20H14N4OS2 — CID 7080139

IUPACN-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H14N4OS2/c1-12-17(18(25)23-19-21-14-9-5-6-10-16(14)26-19)27-20-22-15(11-24(12)20)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,23,25)
InChIKeyDLTWGSIDPBOXDW-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.23
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 7080139) has the molecular formula C20H14N4OS2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID7080139
Molecular FormulaC20H14N4OS2
Molecular Weight390.49 g/mol
Exact Mass390.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H14N4OS2/c1-12-17(18(25)23-19-21-14-9-5-6-10-16(14)26-19)27-20-22-15(11-24(12)20)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,23,25)
InChIKeyDLTWGSIDPBOXDW-UHFFFAOYSA-N
XLogP5.23
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164164
N-(2,6-dimethylphenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348866
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(1,3-benzothiazol-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 27895592
N-(6-methyl-1,3-benzothiazol-2-yl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271565
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662
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
3-methyl-N-[4-(2-methylpropylsulfamoyl)phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164193
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084732

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 7080139) is N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is DLTWGSIDPBOXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS2/c1-12-17(18(25)23-19-21-14-9-5-6-10-16(14)26-19)27-20-22-15(11-24(12)20)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 7080139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).