6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one

C15H19N3OS — CID 126857319

IUPAC6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(Cc2nc3c(s2)CCC3)n1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12-7-8-14(19)18(17-12)9-13-16-10-5-4-6-11(10)20-13/h7-8H,4-6,9H2,1-3H3
InChIKeyZONKROUNOWSMIH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.53
Rot. Bonds2

About 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one

6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one (PubChem CID 126857319) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one
PubChem CID126857319
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(Cc2nc3c(s2)CCC3)n1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)12-7-8-14(19)18(17-12)9-13-16-10-5-4-6-11(10)20-13/h7-8H,4-6,9H2,1-3H3
InChIKeyZONKROUNOWSMIH-UHFFFAOYSA-N
XLogP2.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one with MolForge

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Related Compounds

6-Tert-butyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyridazin-3-one
CID 71921634
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 118790465
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857356
2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-5-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857386
6-tert-butyl-3-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126857700
6-tert-butyl-2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862478
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862946
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126864082
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126864942
2-{[1-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]methyl}-6-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126865401
2-{2-[4-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913450
2-{2-[4-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)piperazin-1-yl]ethyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126913754

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one (CID 126857319) is 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(Cc2nc3c(s2)CCC3)n1.
What is the InChIKey of 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one?
The InChIKey is ZONKROUNOWSMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)12-7-8-14(19)18(17-12)9-13-16-10-5-4-6-11(10)20-13/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one?
6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one has a molecular weight of 289.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 126857319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).