2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole

C16H26N2S — CID 18714561

IUPAC2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1CCC(c2nnc(C3CCC(C)CC3)s2)CC1
InChIInChI=1S/C16H26N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeySJQSTCSJQFKSQS-UHFFFAOYSA-N
MW278.46 g/mol
LogP5.13
Rot. Bonds2

About 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole

2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole (PubChem CID 18714561) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole
PubChem CID18714561
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1CCC(c2nnc(C3CCC(C)CC3)s2)CC1
InChIInChI=1S/C16H26N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeySJQSTCSJQFKSQS-UHFFFAOYSA-N
XLogP5.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 153456388
2,5-Bis(4-butylcyclohexyl)-1,3,4-thiadiazole
CID 15597084
2-(4-Butylcyclohexyl)-5-(4-heptylcyclohexyl)-1,3,4-thiadiazole
CID 15597085
2,5-Bis(4-hexylcyclohexyl)-1,3,4-thiadiazole
CID 15597091
2-[trans-4-(trans-4-n-Propylcyclohexyl)cyclohexyl]-5-propyl-1,3,4-thiadiazole
CID 19879945
2-Cyclohexyl-5-methyl-1,3,4-thiadiazole
CID 58853370
2-Tert-butyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 59476461
2-Ethyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
CID 70849933
2-Tert-butyl-5-(4-ethylcyclohexyl)-1,3,4-thiadiazole
CID 70849963
2-Cyclohexyl-5-propan-2-yl-1,3,4-thiadiazole
CID 71131073
2-(4-Tert-butylcyclohexyl)-5-methyl-1,3,4-thiadiazole
CID 89949184
2-Methyl-5-(4-methylcyclohexyl)-1,3,4-thiadiazole
CID 89949743

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole (CID 18714561) is 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole is CC1CCC(c2nnc(C3CCC(C)CC3)s2)CC1.
What is the InChIKey of 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole?
The InChIKey is SJQSTCSJQFKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole?
2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole has a molecular weight of 278.46 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-methylcyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 18714561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).