2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

C17H23N5O2S — CID 126915379

IUPAC2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cocn3)CC1)CCSC2
InChIInChI=1S/C17H23N5O2S/c23-17-9-14-12-25-8-1-16(14)19-22(17)7-6-20-2-4-21(5-3-20)10-15-11-24-13-18-15/h9,11,13H,1-8,10,12H2
InChIKeyCIMKTUYWFGPVAA-UHFFFAOYSA-N
MW361.47 g/mol
LogP0.84
Rot. Bonds5

About 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one

2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (PubChem CID 126915379) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
PubChem CID126915379
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(Cc3cocn3)CC1)CCSC2
InChIInChI=1S/C17H23N5O2S/c23-17-9-14-12-25-8-1-16(14)19-22(17)7-6-20-2-4-21(5-3-20)10-15-11-24-13-18-15/h9,11,13H,1-8,10,12H2
InChIKeyCIMKTUYWFGPVAA-UHFFFAOYSA-N
XLogP0.84
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915278
2-[2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915325
2-[2-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915341
2-[2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915439
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915203
2-[2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915217
2-[2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915434
2-[2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915300
2-[2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915251
2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915476
4-[2-(3-oxo-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-2-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 126915209
2-[2-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126915185

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one (CID 126915379) is 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCN(Cc3cocn3)CC1)CCSC2.
What is the InChIKey of 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
The InChIKey is CIMKTUYWFGPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c23-17-9-14-12-25-8-1-16(14)19-22(17)7-6-20-2-4-21(5-3-20)10-15-11-24-13-18-15/h9,11,13H,1-8,10,12H2.
What are the key properties of 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one?
2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one has a molecular weight of 361.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]ethyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126915379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).