(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C19H20N2O2S — CID 143238478

IUPAC(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESC/C=C\C.C=CCc1csc2[nH]c(=O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H12N2O2S.C4H8/c1-2-6-10-9-20-13-12(10)14(18)17(15(19)16-13)11-7-4-3-5-8-11;1-3-4-2/h2-5,7-9H,1,6H2,(H,16,19);3-4H,1-2H3/b;4-3-
InChIKeyICRCKYDQZGVVNM-QGAMPUOQSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds3

About (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 143238478) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID143238478
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESC/C=C\C.C=CCc1csc2[nH]c(=O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C15H12N2O2S.C4H8/c1-2-6-10-9-20-13-12(10)14(18)17(15(19)16-13)11-7-4-3-5-8-11;1-3-4-2/h2-5,7-9H,1,6H2,(H,16,19);3-4H,1-2H3/b;4-3-
InChIKeyICRCKYDQZGVVNM-QGAMPUOQSA-N
XLogP4.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(3-chlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 2348091
2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetic acid
CID 70848586
3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 3559126
2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one
CID 91335498
3-methyl-6-phenyl-7-propan-2-yl-9H-thieno[2,3-b][1,6]naphthyridine-4,5-dione
CID 118539698
1,3-dimethyl-5-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 66697344
3-[3-[1-(2,6-dichlorophenyl)ethoxy]phenyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 118098011
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
3-benzyl-11-butyl-5-thia-7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9-tetraen-12-one
CID 67845194
(E)-3-fluorohex-3-ene;2-[3-(4-fluorophenyl)-4-oxo-5-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-methylacetamide
CID 143238520
3-isoquinolin-4-yl-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 170772478
1-phenyl-7,9-dihydro-3H-purine-2,6,8-trione
CID 70117113

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 143238478) is (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is C/C=C\C.C=CCc1csc2[nH]c(=O)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ICRCKYDQZGVVNM-QGAMPUOQSA-N. The full InChI is InChI=1S/C15H12N2O2S.C4H8/c1-2-6-10-9-20-13-12(10)14(18)17(15(19)16-13)11-7-4-3-5-8-11;1-3-4-2/h2-5,7-9H,1,6H2,(H,16,19);3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
(Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 340.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;3-phenyl-5-prop-2-enyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143238478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).