2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C19H14N2OS2 — CID 4876771

IUPAC2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C=Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1
InChIInChI=1S/C19H14N2OS2/c1-12-7-8-14(24-12)9-10-16-20-18(22)17-15(11-23-19(17)21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21,22)
InChIKeyUUGBWEDYDYNHRF-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.19
Rot. Bonds3

About 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 4876771) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID4876771
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1ccc(C=Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1
InChIInChI=1S/C19H14N2OS2/c1-12-7-8-14(24-12)9-10-16-20-18(22)17-15(11-23-19(17)21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21,22)
InChIKeyUUGBWEDYDYNHRF-UHFFFAOYSA-N
XLogP5.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 134093392
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
2-(2,6-difluorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889403
5,6-dimethyl-2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 13492244
2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868492
5-methyl-2-[2-(1-phenyltriazol-4-yl)ethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 154804997
(7S)-7-methyl-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8586300
5-thiophen-2-yl-2-[(E)-2-thiophen-3-ylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 6217988
methyl 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
CID 7575485
2-[(4-chlorophenyl)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 986669
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 40630922
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 4876771) is 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1ccc(C=Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)s1.
What is the InChIKey of 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UUGBWEDYDYNHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-12-7-8-14(24-12)9-10-16-20-18(22)17-15(11-23-19(17)21-16)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21,22).
What are the key properties of 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 350.47 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylthiophen-2-yl)ethenyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 4876771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).