3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H14N4O2S — CID 51120862

IUPAC3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3nc(-c4ccccc4)ccc3=O)cc(=O)n12
InChIInChI=1S/C18H14N4O2S/c1-12-11-25-18-19-14(9-17(24)22(12)18)10-21-16(23)8-7-15(20-21)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyYMPPOPPAVXSERQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.34
Rot. Bonds3

About 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 51120862) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID51120862
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1csc2nc(Cn3nc(-c4ccccc4)ccc3=O)cc(=O)n12
InChIInChI=1S/C18H14N4O2S/c1-12-11-25-18-19-14(9-17(24)22(12)18)10-21-16(23)8-7-15(20-21)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3
InChIKeyYMPPOPPAVXSERQ-UHFFFAOYSA-N
XLogP2.34
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-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

3-methyl-7-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55510653
7-[[(2S)-2-hydroxy-2-phenylethyl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 94805990
7-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17396980
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-phenoxypropanoate
CID 20946495
(2S)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]propanoic acid
CID 104876458
1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 51074744
7-[[benzyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357949
7-[[benzyl(propyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357792
2-[ethyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 54900295
7-[(N-[(2S)-1-hydroxybutan-2-yl]anilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 96566986
7-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577851
3-methyl-7-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24577055

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 51120862) is 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1csc2nc(Cn3nc(-c4ccccc4)ccc3=O)cc(=O)n12.
What is the InChIKey of 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YMPPOPPAVXSERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-12-11-25-18-19-14(9-17(24)22(12)18)10-21-16(23)8-7-15(20-21)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3.
What are the key properties of 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 350.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[(6-oxo-3-phenylpyridazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 51120862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).