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

C9H13ClN2S — CID 106828930

IUPAC2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1(c2nnc(Cl)s2)CCCCC1
InChIInChI=1S/C9H13ClN2S/c1-9(5-3-2-4-6-9)7-11-12-8(10)13-7/h2-6H2,1H3
InChIKeyQJMZZAQOVRUANQ-UHFFFAOYSA-N
MW216.74 g/mol
LogP3.41
Rot. Bonds1

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

2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole (PubChem CID 106828930) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole
PubChem CID106828930
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC Name2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole
SMILESCC1(c2nnc(Cl)s2)CCCCC1
InChIInChI=1S/C9H13ClN2S/c1-9(5-3-2-4-6-9)7-11-12-8(10)13-7/h2-6H2,1H3
InChIKeyQJMZZAQOVRUANQ-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(1-methylcyclobutyl)-1,3,4-thiadiazole
CID 115039271
2-(1-bromopropyl)-5-(1-methylcyclohexyl)-1,3,4-thiadiazole
CID 106829272
N-[2-[5-(1-methylcyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 106829297
5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
CID 130179511
2-chloro-5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazole
CID 107183813
2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole
CID 115042255
2,4-dichloro-6-(1-methylcyclohexyl)-1,3,5-triazine
CID 121389488
3-[2-(1-methylcyclopentyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115034761
3-bromo-5-(1-methylcyclohexyl)-1,2,4-thiadiazole
CID 106831435
5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine
CID 106829181
2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115034146
[5-(2-methyloxan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 115028471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole (CID 106828930) is 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole is CC1(c2nnc(Cl)s2)CCCCC1.
What is the InChIKey of 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole?
The InChIKey is QJMZZAQOVRUANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-9(5-3-2-4-6-9)7-11-12-8(10)13-7/h2-6H2,1H3.
What are the key properties of 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole?
2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole has a molecular weight of 216.74 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methylcyclohexyl)-1,3,4-thiadiazole is sourced from PubChem (CID 106828930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).