2-chloro-5-cyclopentyl-1,3,4-thiadiazole

C7H9ClN2S — CID 63386044

IUPAC2-chloro-5-cyclopentyl-1,3,4-thiadiazole
SMILESClc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H9ClN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyCGECMNWDKFOZPC-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.85
Rot. Bonds1

About 2-chloro-5-cyclopentyl-1,3,4-thiadiazole

2-chloro-5-cyclopentyl-1,3,4-thiadiazole (PubChem CID 63386044) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-chloro-5-cyclopentyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-cyclopentyl-1,3,4-thiadiazole
PubChem CID63386044
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name2-chloro-5-cyclopentyl-1,3,4-thiadiazole
SMILESClc1nnc(C2CCCC2)s1
InChIInChI=1S/C7H9ClN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2
InChIKeyCGECMNWDKFOZPC-UHFFFAOYSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopentyl-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-cyclopentyl-1,3,4-thiadiazole (CID 63386044) is 2-chloro-5-cyclopentyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-cyclopentyl-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-cyclopentyl-1,3,4-thiadiazole is Clc1nnc(C2CCCC2)s1.
What is the InChIKey of 2-chloro-5-cyclopentyl-1,3,4-thiadiazole?
The InChIKey is CGECMNWDKFOZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2.
What are the key properties of 2-chloro-5-cyclopentyl-1,3,4-thiadiazole?
2-chloro-5-cyclopentyl-1,3,4-thiadiazole has a molecular weight of 188.68 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopentyl-1,3,4-thiadiazole is sourced from PubChem (CID 63386044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).