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

C6H7ClN2S — CID 46183294

IUPAC5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1(c2nsc(Cl)n2)CC1
InChIInChI=1S/C6H7ClN2S/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3
InChIKeyPGIKAEQOLYIBLC-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.24
Rot. Bonds1

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

5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 46183294) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
PubChem CID46183294
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole
SMILESCC1(c2nsc(Cl)n2)CC1
InChIInChI=1S/C6H7ClN2S/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3
InChIKeyPGIKAEQOLYIBLC-UHFFFAOYSA-N
XLogP2.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole (CID 46183294) is 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole is CC1(c2nsc(Cl)n2)CC1.
What is the InChIKey of 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is PGIKAEQOLYIBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c1-6(2-3-6)4-8-5(7)10-9-4/h2-3H2,1H3.
What are the key properties of 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole?
5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 174.66 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1-methylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 46183294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).