3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one

C23H15N3OS — CID 42993564

IUPAC3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C23H15N3OS/c27-23-21-20(18-7-2-1-3-8-18)14-28-22(21)24-15-26(23)25-13-16-10-11-17-6-4-5-9-19(17)12-16/h1-15H/b25-13+
InChIKeyYMXHPFIMPUPTPT-DHRITJCHSA-N
MW381.46 g/mol
LogP5.16
Rot. Bonds3

About 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one

3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 42993564) has the molecular formula C23H15N3OS and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID42993564
Molecular FormulaC23H15N3OS
Molecular Weight381.46 g/mol
Exact Mass381.09
IUPAC Name3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C23H15N3OS/c27-23-21-20(18-7-2-1-3-8-18)14-28-22(21)24-15-26(23)25-13-16-10-11-17-6-4-5-9-19(17)12-16/h1-15H/b25-13+
InChIKeyYMXHPFIMPUPTPT-DHRITJCHSA-N
XLogP5.16
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42995008
5-phenyl-3-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 135676172
5-(4-chlorophenyl)-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6045430
3-[(2-bromo-3-phenylprop-2-enylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 3562658
3-[[4-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 3654801
3-[(E)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 16555790
5-(4-chlorophenyl)-3-[(1-methylindol-3-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 3242344
3-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 3626453
6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9174718
5-(furan-2-yl)-3-[(Z)-pyridin-4-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9298745
5-(4-chlorophenyl)-3-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6893470
N,N-dimethyl-N'-[4-oxo-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-3-yl]methanimidamide
CID 3531776

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 42993564) is 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc2ccccc2c1.
What is the InChIKey of 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is YMXHPFIMPUPTPT-DHRITJCHSA-N. The full InChI is InChI=1S/C23H15N3OS/c27-23-21-20(18-7-2-1-3-8-18)14-28-22(21)24-15-26(23)25-13-16-10-11-17-6-4-5-9-19(17)12-16/h1-15H/b25-13+.
What are the key properties of 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42993564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).