2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole

C20H34N2S — CID 19879945

IUPAC2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole
SMILESCCCc1nnc(C2CCC(C3CCC(CCC)CC3)CC2)s1
InChIInChI=1S/C20H34N2S/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20-22-21-19(23-20)6-4-2/h15-18H,3-14H2,1-2H3
InChIKeyFXAATSJQRIYUGP-UHFFFAOYSA-N
MW334.57 g/mol
LogP6.37
Rot. Bonds6

About 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole

2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole (PubChem CID 19879945) has the molecular formula C20H34N2S and a molecular weight of 334.57 g/mol. Its IUPAC name is 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole
PubChem CID19879945
Molecular FormulaC20H34N2S
Molecular Weight334.57 g/mol
Exact Mass334.24
IUPAC Name2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole
SMILESCCCc1nnc(C2CCC(C3CCC(CCC)CC3)CC2)s1
InChIInChI=1S/C20H34N2S/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20-22-21-19(23-20)6-4-2/h15-18H,3-14H2,1-2H3
InChIKeyFXAATSJQRIYUGP-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.57
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole?
The IUPAC name of 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole (CID 19879945) is 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole is CCCc1nnc(C2CCC(C3CCC(CCC)CC3)CC2)s1.
What is the InChIKey of 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole?
The InChIKey is FXAATSJQRIYUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2S/c1-3-5-15-7-9-16(10-8-15)17-11-13-18(14-12-17)20-22-21-19(23-20)6-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole?
2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole has a molecular weight of 334.57 g/mol, XLogP of 6.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(4-propylcyclohexyl)cyclohexyl]-1,3,4-thiadiazole is sourced from PubChem (CID 19879945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).