5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole

C8H11ClN2S2 — CID 60730745

IUPAC5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole
SMILESClc1snnc1CSC1CCCC1
InChIInChI=1S/C8H11ClN2S2/c9-8-7(10-11-13-8)5-12-6-3-1-2-4-6/h6H,1-5H2
InChIKeyJIBXLBUDPXEGST-UHFFFAOYSA-N
MW234.78 g/mol
LogP3.37
Rot. Bonds3

About 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole

5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole (PubChem CID 60730745) has the molecular formula C8H11ClN2S2 and a molecular weight of 234.78 g/mol. Its IUPAC name is 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole.

Molecular Properties

Compound Name5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole
PubChem CID60730745
Molecular FormulaC8H11ClN2S2
Molecular Weight234.78 g/mol
Exact Mass234.01
IUPAC Name5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole
SMILESClc1snnc1CSC1CCCC1
InChIInChI=1S/C8H11ClN2S2/c9-8-7(10-11-13-8)5-12-6-3-1-2-4-6/h6H,1-5H2
InChIKeyJIBXLBUDPXEGST-UHFFFAOYSA-N
XLogP3.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole?
The IUPAC name of 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole (CID 60730745) is 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole.
What is the SMILES notation for 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole?
The canonical SMILES for 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole is Clc1snnc1CSC1CCCC1.
What is the InChIKey of 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole?
The InChIKey is JIBXLBUDPXEGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S2/c9-8-7(10-11-13-8)5-12-6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole?
5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole has a molecular weight of 234.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclopentylsulfanylmethyl)thiadiazole is sourced from PubChem (CID 60730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).