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

C13H16N4OS — CID 126857356

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(Cc2nc3c(s2)CCC3)n1
InChIInChI=1S/C13H16N4OS/c1-16(2)11-6-7-13(18)17(15-11)8-12-14-9-4-3-5-10(9)19-12/h6-7H,3-5,8H2,1-2H3
InChIKeyDCAPDOVIASGBOS-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.30
Rot. Bonds3

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

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one (PubChem CID 126857356) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one
PubChem CID126857356
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1ccc(=O)n(Cc2nc3c(s2)CCC3)n1
InChIInChI=1S/C13H16N4OS/c1-16(2)11-6-7-13(18)17(15-11)8-12-14-9-4-3-5-10(9)19-12/h6-7H,3-5,8H2,1-2H3
InChIKeyDCAPDOVIASGBOS-UHFFFAOYSA-N
XLogP1.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]prop-2-enamide
CID 166419835
N,1-dimethyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,6-dihydropyridazine-3-carboxamide
CID 118765877
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
6-tert-butyl-2-({4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126857319
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}-6-methyl-2,3-dihydropyridazin-3-one
CID 126864082
2-[(1-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}piperidin-4-yl)methyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126864169
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

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one (CID 126857356) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one is CN(C)c1ccc(=O)n(Cc2nc3c(s2)CCC3)n1.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one?
The InChIKey is DCAPDOVIASGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16(2)11-6-7-13(18)17(15-11)8-12-14-9-4-3-5-10(9)19-12/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one has a molecular weight of 276.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-6-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 126857356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).