2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole

C32H52N2OS — CID 67829710

IUPAC2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole
SMILESCCCCCCCCCCc1nnc(-c2ccc(OCCCC3CCCCC3CCCCC)cc2)s1
InChIInChI=1S/C32H52N2OS/c1-3-5-7-8-9-10-11-13-21-31-33-34-32(36-31)29-22-24-30(25-23-29)35-26-16-20-28-19-15-14-18-27(28)17-12-6-4-2/h22-25,27-28H,3-21,26H2,1-2H3
InChIKeyIAKDUKPDTADCDM-UHFFFAOYSA-N
MW512.85 g/mol
LogP10.43
Rot. Bonds19

About 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole

2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole (PubChem CID 67829710) has the molecular formula C32H52N2OS and a molecular weight of 512.85 g/mol. Its IUPAC name is 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole
PubChem CID67829710
Molecular FormulaC32H52N2OS
Molecular Weight512.85 g/mol
Exact Mass512.38
IUPAC Name2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole
SMILESCCCCCCCCCCc1nnc(-c2ccc(OCCCC3CCCCC3CCCCC)cc2)s1
InChIInChI=1S/C32H52N2OS/c1-3-5-7-8-9-10-11-13-21-31-33-34-32(36-31)29-22-24-30(25-23-29)35-26-16-20-28-19-15-14-18-27(28)17-12-6-4-2/h22-25,27-28H,3-21,26H2,1-2H3
InChIKeyIAKDUKPDTADCDM-UHFFFAOYSA-N
XLogP10.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.85
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentyl-5-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole
CID 19739061
2-(4-decoxyphenyl)-5-hexyl-1,3,4-thiadiazole
CID 18997761
2-(4-decoxyphenyl)-5-pentyl-1,3,4-thiadiazole
CID 18997783
2-(4-decoxyphenyl)-5-octyl-1,3,4-thiadiazole
CID 56978549
2-[4-(4-octoxyphenyl)phenyl]-5-pentyl-1,3,4-thiadiazole
CID 14418890
2-(4-ethoxyphenyl)-5-[3-(2-pentylcyclohexyl)propoxy]-1,3,4-thiadiazole
CID 57018319
2-[4-[3-(2-hexylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 57278648
2-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]-5-hexylpyrimidine
CID 57321967
2-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]-5-octylpyrimidine
CID 57153307
5-butyl-2-[4-[3-(2-nonylcyclohexyl)propoxy]phenyl]pyrimidine
CID 57307453
2-[4-[3-(2-decylcyclohexyl)propoxy]phenyl]-5-hexylpyrimidine
CID 57165509
5-decyl-2-[4-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]phenyl]pyrimidine
CID 57176671

Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole (CID 67829710) is 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole is CCCCCCCCCCc1nnc(-c2ccc(OCCCC3CCCCC3CCCCC)cc2)s1.
What is the InChIKey of 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole?
The InChIKey is IAKDUKPDTADCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52N2OS/c1-3-5-7-8-9-10-11-13-21-31-33-34-32(36-31)29-22-24-30(25-23-29)35-26-16-20-28-19-15-14-18-27(28)17-12-6-4-2/h22-25,27-28H,3-21,26H2,1-2H3.
What are the key properties of 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole?
2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole has a molecular weight of 512.85 g/mol, XLogP of 10.43, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 67829710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).