3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole

C10H16N4S — CID 65275780

IUPAC3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCC1CNCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H16N4S/c1-7-6-11-4-5-14(7)10-12-9(13-15-10)8-2-3-8/h7-8,11H,2-6H2,1H3
InChIKeyTUVHCISSEFKAFV-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.21
Rot. Bonds2

About 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 65275780) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID65275780
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCC1CNCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H16N4S/c1-7-6-11-4-5-14(7)10-12-9(13-15-10)8-2-3-8/h7-8,11H,2-6H2,1H3
InChIKeyTUVHCISSEFKAFV-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
CID 103198225
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65276198
2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
CID 71639519
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 65280462
3-cyclopropyl-5-(4-cyclopropylidenepiperidin-1-yl)-1,2,4-thiadiazole
CID 121184324
3-cyclopropyl-5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133391187
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65274940
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65280832
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961737
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
5-cyclobutyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 116976419
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 89340460

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole (CID 65275780) is 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole is CC1CNCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is TUVHCISSEFKAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-7-6-11-4-5-14(7)10-12-9(13-15-10)8-2-3-8/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 224.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65275780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).