3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole

C12H19ClN2S — CID 65412658

IUPAC3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole
SMILESCC(C)(C)C1CCC(c2nsc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN2S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h8-9H,4-7H2,1-3H3
InChIKeyGHGKCQWXEFQXEJ-UHFFFAOYSA-N
MW258.82 g/mol
LogP4.51
Rot. Bonds1

About 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole

3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole (PubChem CID 65412658) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole
PubChem CID65412658
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole
SMILESCC(C)(C)C1CCC(c2nsc(Cl)n2)CC1
InChIInChI=1S/C12H19ClN2S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h8-9H,4-7H2,1-3H3
InChIKeyGHGKCQWXEFQXEJ-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618540
5-chloro-3-(4-propylcyclohexyl)-1,2,4-thiadiazole
CID 65400393
4-(5-chloro-1,2,4-thiadiazol-3-yl)cyclohexan-1-one
CID 59541834
5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
CID 66293950
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 66292595
2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 65415438
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 65402223
5-(4-tert-butylcyclohexyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605414
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
CID 66306252

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole (CID 65412658) is 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole is CC(C)(C)C1CCC(c2nsc(Cl)n2)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole?
The InChIKey is GHGKCQWXEFQXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)16-15-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole?
3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole has a molecular weight of 258.82 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole is sourced from PubChem (CID 65412658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).