3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole

C9H16N4S — CID 57268698

IUPAC3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C9H16N4S/c1-2-3-12-4-6-13(7-5-12)9-10-8-14-11-9/h8H,2-7H2,1H3
InChIKeyCDRTYIIGZFLXJK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.07
Rot. Bonds3

About 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole

3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole (PubChem CID 57268698) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
PubChem CID57268698
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole
SMILESCCCN1CCN(c2ncsn2)CC1
InChIInChI=1S/C9H16N4S/c1-2-3-12-4-6-13(7-5-12)9-10-8-14-11-9/h8H,2-7H2,1H3
InChIKeyCDRTYIIGZFLXJK-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Piperazin-1-yl-1,2,4-thiadiazole
CID 18787135
3-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303031
3-(4-Butylpiperazin-1-yl)-1,2,4-thiadiazole
CID 23303067
3-[(4-Propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole
CID 57017620
3-(4-Ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 57162806
5-(4-Methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 130164669
3-Piperidin-1-yl-1,2,4-thiadiazole
CID 175948156
5-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
CID 65270133
3-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
CID 65270179
2-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]ethanamine
CID 65270341
4-[4-(1,2,4-Thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
CID 65270551
2-Methyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
CID 65270758

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole (CID 57268698) is 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole is CCCN1CCN(c2ncsn2)CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole?
The InChIKey is CDRTYIIGZFLXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-3-12-4-6-13(7-5-12)9-10-8-14-11-9/h8H,2-7H2,1H3.
What are the key properties of 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole?
3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 57268698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).