2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

C14H10N2OS — CID 14668193

IUPAC2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2)nc2sccc12
InChIInChI=1S/C14H10N2OS/c17-13-11-8-9-18-14(11)16-12(15-13)7-6-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)/b7-6+
InChIKeyDOJKLKYTFJBNSV-VOTSOKGWSA-N
MW254.31 g/mol
LogP3.15
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one

2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 14668193) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID14668193
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(/C=C/c2ccccc2)nc2sccc12
InChIInChI=1S/C14H10N2OS/c17-13-11-8-9-18-14(11)16-12(15-13)7-6-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)/b7-6+
InChIKeyDOJKLKYTFJBNSV-VOTSOKGWSA-N
XLogP3.15
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
N-[4-(Aminomethyl)benzyl]-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-5-Carboxamide
CID 71677804
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396
2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 2393069
2-methyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3301641
N-benzyl-N-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]acetamide
CID 1453222
N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide
CID 2809909
2,6-diphenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 705286
3-Amino-2-ethyl-5-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-4-one
CID 723149
2-Methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 730299

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 14668193) is 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(/C=C/c2ccccc2)nc2sccc12.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is DOJKLKYTFJBNSV-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-13-11-8-9-18-14(11)16-12(15-13)7-6-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 254.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 14668193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).