2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

C23H16N4O2S — CID 138041583

IUPAC2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1coc(-c2ccccc2)n1
InChIInChI=1S/C23H16N4O2S/c1-15-25-22-20(19(14-30-22)16-8-4-2-5-9-16)23(28)27(15)24-12-18-13-29-21(26-18)17-10-6-3-7-11-17/h2-14H,1H3/b24-12+
InChIKeyKRGGLDSSEGLWFJ-WYMPLXKRSA-N
MW412.47 g/mol
LogP4.97
Rot. Bonds4

About 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one

2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 138041583) has the molecular formula C23H16N4O2S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID138041583
Molecular FormulaC23H16N4O2S
Molecular Weight412.47 g/mol
Exact Mass412.10
IUPAC Name2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1coc(-c2ccccc2)n1
InChIInChI=1S/C23H16N4O2S/c1-15-25-22-20(19(14-30-22)16-8-4-2-5-9-16)23(28)27(15)24-12-18-13-29-21(26-18)17-10-6-3-7-11-17/h2-14H,1H3/b24-12+
InChIKeyKRGGLDSSEGLWFJ-WYMPLXKRSA-N
XLogP4.97
TPSA73.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-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-[(4-bromophenyl)methylideneamino]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2237864
N,N-dimethyl-N'-[2-methyl-5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methanimidamide
CID 6301048
[4-[(E)-(2-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenyl] pyridine-4-carboxylate
CID 6900977
3-(2-bromoethyl)-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 82027815
2-(4-oxo-2,5-diphenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 28898547
3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42995008
3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42993564
(11R)-11,12-dimethyl-4-phenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one
CID 9465469
2-methyl-3-[(Z)-quinoxalin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9296302
2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4876771
3-amino-5-(furan-2-yl)-2-methylthieno[2,3-d]pyrimidin-4-one
CID 512191
(10E)-10-[(2-fluorophenyl)methylidene]-4-phenyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 18290548

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 138041583) is 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1coc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KRGGLDSSEGLWFJ-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H16N4O2S/c1-15-25-22-20(19(14-30-22)16-8-4-2-5-9-16)23(28)27(15)24-12-18-13-29-21(26-18)17-10-6-3-7-11-17/h2-14H,1H3/b24-12+.
What are the key properties of 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one?
2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 412.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-[(E)-(2-phenyl-1,3-oxazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138041583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).