N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C19H13N7OS — CID 121114202

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C19H13N7OS/c27-18(15-5-6-17(24-23-15)26-8-7-20-12-26)21-14-3-1-13(2-4-14)16-11-25-9-10-28-19(25)22-16/h1-12H,(H,21,27)
InChIKeyZOWAIQFGCRSLIW-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.29
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 121114202) has the molecular formula C19H13N7OS and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID121114202
Molecular FormulaC19H13N7OS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2ccnc2)nn1
InChIInChI=1S/C19H13N7OS/c27-18(15-5-6-17(24-23-15)26-8-7-20-12-26)21-14-3-1-13(2-4-14)16-11-25-9-10-28-19(25)22-16/h1-12H,(H,21,27)
InChIKeyZOWAIQFGCRSLIW-UHFFFAOYSA-N
XLogP3.29
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40722977
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-oxidopyridin-1-ium-4-carboxamide
CID 37039109
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 121114202) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2ccnc2)nn1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is ZOWAIQFGCRSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7OS/c27-18(15-5-6-17(24-23-15)26-8-7-20-12-26)21-14-3-1-13(2-4-14)16-11-25-9-10-28-19(25)22-16/h1-12H,(H,21,27).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121114202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).