N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C21H19N5O2S — CID 122280117

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C21H19N5O2S/c1-13(26-19(27)11-15-3-2-4-17(15)24-26)20(28)22-16-7-5-14(6-8-16)18-12-25-9-10-29-21(25)23-18/h5-13H,2-4H2,1H3,(H,22,28)
InChIKeyZITLUWIKCWKAHZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.31
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280117) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280117
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C21H19N5O2S/c1-13(26-19(27)11-15-3-2-4-17(15)24-26)20(28)22-16-7-5-14(6-8-16)18-12-25-9-10-29-21(25)23-18/h5-13H,2-4H2,1H3,(H,22,28)
InChIKeyZITLUWIKCWKAHZ-UHFFFAOYSA-N
XLogP3.31
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280117) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is CC(C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is ZITLUWIKCWKAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-13(26-19(27)11-15-3-2-4-17(15)24-26)20(28)22-16-7-5-14(6-8-16)18-12-25-9-10-29-21(25)23-18/h5-13H,2-4H2,1H3,(H,22,28).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 405.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).