3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole

C10H18N4S — CID 57017620

IUPAC3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole
SMILESCCCN1CCN(Cc2ncsn2)CC1
InChIInChI=1S/C10H18N4S/c1-2-3-13-4-6-14(7-5-13)8-10-11-9-15-12-10/h9H,2-8H2,1H3
InChIKeyFIMKKTDGLDAXNM-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.07
Rot. Bonds4

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

3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole (PubChem CID 57017620) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole
PubChem CID57017620
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole
SMILESCCCN1CCN(Cc2ncsn2)CC1
InChIInChI=1S/C10H18N4S/c1-2-3-13-4-6-14(7-5-13)8-10-11-9-15-12-10/h9H,2-8H2,1H3
InChIKeyFIMKKTDGLDAXNM-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole (CID 57017620) is 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole is CCCN1CCN(Cc2ncsn2)CC1.
What is the InChIKey of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole?
The InChIKey is FIMKKTDGLDAXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-3-13-4-6-14(7-5-13)8-10-11-9-15-12-10/h9H,2-8H2,1H3.
What are the key properties of 3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole?
3-[(4-propylpiperazin-1-yl)methyl]-1,2,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.07, 4 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)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 57017620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).