3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole

C9H12N2S — CID 135170507

IUPAC3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(C2(C3CC3)CC2)ns1
InChIInChI=1S/C9H12N2S/c1-6-10-8(11-12-6)9(4-5-9)7-2-3-7/h7H,2-5H2,1H3
InChIKeyIXFBTCZLXXXQRO-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.29
Rot. Bonds2

About 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole

3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole (PubChem CID 135170507) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole
PubChem CID135170507
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole
SMILESCc1nc(C2(C3CC3)CC2)ns1
InChIInChI=1S/C9H12N2S/c1-6-10-8(11-12-6)9(4-5-9)7-2-3-7/h7H,2-5H2,1H3
InChIKeyIXFBTCZLXXXQRO-UHFFFAOYSA-N
XLogP2.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole?
The IUPAC name of 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole (CID 135170507) is 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole?
The canonical SMILES for 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole is Cc1nc(C2(C3CC3)CC2)ns1.
What is the InChIKey of 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole?
The InChIKey is IXFBTCZLXXXQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-6-10-8(11-12-6)9(4-5-9)7-2-3-7/h7H,2-5H2,1H3.
What are the key properties of 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole?
3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole has a molecular weight of 180.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylcyclopropyl)-5-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 135170507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).