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

C20H18N6OS — CID 71778520

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H18N6OS/c27-19(16-6-7-18(24-23-16)25-8-1-2-9-25)21-15-5-3-4-14(12-15)17-13-26-10-11-28-20(26)22-17/h3-7,10-13H,1-2,8-9H2,(H,21,27)
InChIKeyBAHIEXDGKKLPNW-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.71
Rot. Bonds4

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

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778520) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71778520
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H18N6OS/c27-19(16-6-7-18(24-23-16)25-8-1-2-9-25)21-15-5-3-4-14(12-15)17-13-26-10-11-28-20(26)22-17/h3-7,10-13H,1-2,8-9H2,(H,21,27)
InChIKeyBAHIEXDGKKLPNW-UHFFFAOYSA-N
XLogP3.71
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071423
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147397
6-pyrrolidin-1-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridazine-3-carboxamide
CID 71778535
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167387
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]thiophene-2-carboxamide
CID 7593249
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114202
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
3,4-dichloro-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzenesulfonamide
CID 983326
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71778520) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is BAHIEXDGKKLPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-19(16-6-7-18(24-23-16)25-8-1-2-9-25)21-15-5-3-4-14(12-15)17-13-26-10-11-28-20(26)22-17/h3-7,10-13H,1-2,8-9H2,(H,21,27).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).