7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

C23H36N2O2S — CID 155490640

IUPAC7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCCCCCCCCC=CCCCCCCCc1cc(=O)n2c(n1)SCC2=O
InChIInChI=1S/C23H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(26)25-22(27)19-28-23(25)24-20/h9-10,18H,2-8,11-17,19H2,1H3
InChIKeyZTDWMAPMYVHNAM-UHFFFAOYSA-N
MW404.62 g/mol
LogP6.18
Rot. Bonds15

About 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione

7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (PubChem CID 155490640) has the molecular formula C23H36N2O2S and a molecular weight of 404.62 g/mol. Its IUPAC name is 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.

Molecular Properties

Compound Name7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
PubChem CID155490640
Molecular FormulaC23H36N2O2S
Molecular Weight404.62 g/mol
Exact Mass404.25
IUPAC Name7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione
SMILESCCCCCCCCC=CCCCCCCCc1cc(=O)n2c(n1)SCC2=O
InChIInChI=1S/C23H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(26)25-22(27)19-28-23(25)24-20/h9-10,18H,2-8,11-17,19H2,1H3
InChIKeyZTDWMAPMYVHNAM-UHFFFAOYSA-N
XLogP6.18
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-heptadec-8-enyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137178356
2-butyl-4,6-dihexylpyrimidine
CID 91010912
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2-butyl-4,6-didodecylpyrimidine
CID 91545608
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
5-[(E)-pentadec-8-enyl]benzene-1,3-diol
CID 6916254
4-methyl-2,6-dioctylpyridine
CID 66935754
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260

Frequently Asked Questions

What is the IUPAC name of 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The IUPAC name of 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione (CID 155490640) is 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione.
What is the SMILES notation for 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The canonical SMILES for 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is CCCCCCCCC=CCCCCCCCc1cc(=O)n2c(n1)SCC2=O.
What is the InChIKey of 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
The InChIKey is ZTDWMAPMYVHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(26)25-22(27)19-28-23(25)24-20/h9-10,18H,2-8,11-17,19H2,1H3.
What are the key properties of 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione?
7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione has a molecular weight of 404.62 g/mol, XLogP of 6.18, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptadec-8-enyl-[1,3]thiazolo[3,2-a]pyrimidine-3,5-dione is sourced from PubChem (CID 155490640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).