N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C20H20N6OS — CID 121027805

IUPACN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H20N6OS/c27-19(16-7-8-18(24-23-16)25-9-1-2-10-25)21-15-5-3-14(4-6-15)17-13-26-11-12-28-20(26)22-17/h3-8,13H,1-2,9-12H2,(H,21,27)
InChIKeyKECMALHCYUKYGY-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027805) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027805
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H20N6OS/c27-19(16-7-8-18(24-23-16)25-9-1-2-10-25)21-15-5-3-14(4-6-15)17-13-26-11-12-28-20(26)22-17/h3-8,13H,1-2,9-12H2,(H,21,27)
InChIKeyKECMALHCYUKYGY-UHFFFAOYSA-N
XLogP3.30
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506421
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071713
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3,5-dinitrobenzamide
CID 41427391
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120566235
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
2-(4-bromophenyl)-N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]acetamide
CID 18562205
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027805) is N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is KECMALHCYUKYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c27-19(16-7-8-18(24-23-16)25-9-1-2-10-25)21-15-5-3-14(4-6-15)17-13-26-11-12-28-20(26)22-17/h3-8,13H,1-2,9-12H2,(H,21,27).
What are the key properties of N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).