3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one

C18H13N3O2S — CID 6858455

IUPAC3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1
InChIInChI=1S/C18H13N3O2S/c1-12-7-8-14(23-12)10-20-21-11-19-17-15(18(21)22)9-16(24-17)13-5-3-2-4-6-13/h2-11H,1H3/b20-10+
InChIKeyIGVJUGVCKXSRPU-KEBDBYFISA-N
MW335.39 g/mol
LogP3.91
Rot. Bonds3

About 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one

3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 6858455) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID6858455
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1
InChIInChI=1S/C18H13N3O2S/c1-12-7-8-14(23-12)10-20-21-11-19-17-15(18(21)22)9-16(24-17)13-5-3-2-4-6-13/h2-11H,1H3/b20-10+
InChIKeyIGVJUGVCKXSRPU-KEBDBYFISA-N
XLogP3.91
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-furan-2-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 5339681
Smr000103796
CID 5342009
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 6858705
3-[(E)-furan-2-ylmethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 6865336
5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6902781
2-[4-[(E)-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenoxy]acetic acid
CID 6907255
3-[(2-furylmethylene)amino]-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 6863327
3-{[(5-methyl-2-furyl)methylene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 6858477
3-[5-[(E)-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)iminomethyl]furan-2-yl]benzoic acid
CID 6859863
3-[(3,4-dimethoxybenzylidene)amino]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 6859550
3-{[4-(difluoromethoxy)benzylidene]amino}-5-(2-thienyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 6865344
3-{[(E)-2-furylmethylidene]amino}-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 6893498

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 6858455) is 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one is Cc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1.
What is the InChIKey of 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is IGVJUGVCKXSRPU-KEBDBYFISA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-12-7-8-14(23-12)10-20-21-11-19-17-15(18(21)22)9-16(24-17)13-5-3-2-4-6-13/h2-11H,1H3/b20-10+.
What are the key properties of 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 335.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-methylfuran-2-yl)methylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6858455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).