5-pentadecan-8-yl-1,2,4-thiadiazole

C17H32N2S — CID 129212992

IUPAC5-pentadecan-8-yl-1,2,4-thiadiazole
SMILESCCCCCCCC(CCCCCCC)c1ncns1
InChIInChI=1S/C17H32N2S/c1-3-5-7-9-11-13-16(17-18-15-19-20-17)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeySEOJITBGRPNVCV-UHFFFAOYSA-N
MW296.52 g/mol
LogP6.34
Rot. Bonds13

About 5-pentadecan-8-yl-1,2,4-thiadiazole

5-pentadecan-8-yl-1,2,4-thiadiazole (PubChem CID 129212992) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is 5-pentadecan-8-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-pentadecan-8-yl-1,2,4-thiadiazole
PubChem CID129212992
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC Name5-pentadecan-8-yl-1,2,4-thiadiazole
SMILESCCCCCCCC(CCCCCCC)c1ncns1
InChIInChI=1S/C17H32N2S/c1-3-5-7-9-11-13-16(17-18-15-19-20-17)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeySEOJITBGRPNVCV-UHFFFAOYSA-N
XLogP6.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hexan-3-yl-1,2,4-thiadiazole
CID 129264346
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
1-(1,2,4-thiadiazol-5-yl)butan-1-amine
CID 82415875
5-dodecan-6-yl-1,2-thiazole
CID 134557589
4-tetradecan-7-yl-1,2-thiazole
CID 155439564
N-octyl-1,2,4-thiadiazol-5-amine
CID 115568955
4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
CID 166688598
2-undecan-5-yl-1,3-oxazole
CID 134461094
4-undecan-5-yl-1,2-thiazole
CID 146406991
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
4-decan-3-ylpyrimidine
CID 170150821

Frequently Asked Questions

What is the IUPAC name of 5-pentadecan-8-yl-1,2,4-thiadiazole?
The IUPAC name of 5-pentadecan-8-yl-1,2,4-thiadiazole (CID 129212992) is 5-pentadecan-8-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-pentadecan-8-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-pentadecan-8-yl-1,2,4-thiadiazole is CCCCCCCC(CCCCCCC)c1ncns1.
What is the InChIKey of 5-pentadecan-8-yl-1,2,4-thiadiazole?
The InChIKey is SEOJITBGRPNVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-3-5-7-9-11-13-16(17-18-15-19-20-17)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 5-pentadecan-8-yl-1,2,4-thiadiazole?
5-pentadecan-8-yl-1,2,4-thiadiazole has a molecular weight of 296.52 g/mol, XLogP of 6.34, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadecan-8-yl-1,2,4-thiadiazole is sourced from PubChem (CID 129212992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).