5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane

C7H11ClN2S — CID 90867436

IUPAC5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane
SMILESCC.Clc1nc(C2CC2)ns1
InChIInChI=1S/C5H5ClN2S.C2H6/c6-5-7-4(8-9-5)3-1-2-3;1-2/h3H,1-2H2;1-2H3
InChIKeyZTPTVIIYLAGQQO-UHFFFAOYSA-N
MW190.70 g/mol
LogP3.10
Rot. Bonds1

About 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane

5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane (PubChem CID 90867436) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane
PubChem CID90867436
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane
SMILESCC.Clc1nc(C2CC2)ns1
InChIInChI=1S/C5H5ClN2S.C2H6/c6-5-7-4(8-9-5)3-1-2-3;1-2/h3H,1-2H2;1-2H3
InChIKeyZTPTVIIYLAGQQO-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane?
The IUPAC name of 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane (CID 90867436) is 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane?
The canonical SMILES for 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane is CC.Clc1nc(C2CC2)ns1.
What is the InChIKey of 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane?
The InChIKey is ZTPTVIIYLAGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S.C2H6/c6-5-7-4(8-9-5)3-1-2-3;1-2/h3H,1-2H2;1-2H3.
What are the key properties of 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane?
5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane has a molecular weight of 190.70 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane is sourced from PubChem (CID 90867436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).