5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine

C13H24N6S — CID 58553173

IUPAC5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCN(CC2CCN(c3nnc(N)s3)CC2)CC1
InChIInChI=1S/C13H24N6S/c1-17-6-8-18(9-7-17)10-11-2-4-19(5-3-11)13-16-15-12(14)20-13/h11H,2-10H2,1H3,(H2,14,15)
InChIKeyVDCIFXFPMSEBJA-UHFFFAOYSA-N
MW296.44 g/mol
LogP0.58
Rot. Bonds3

About 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine

5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 58553173) has the molecular formula C13H24N6S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
PubChem CID58553173
Molecular FormulaC13H24N6S
Molecular Weight296.44 g/mol
Exact Mass296.18
IUPAC Name5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCN(CC2CCN(c3nnc(N)s3)CC2)CC1
InChIInChI=1S/C13H24N6S/c1-17-6-8-18(9-7-17)10-11-2-4-19(5-3-11)13-16-15-12(14)20-13/h11H,2-10H2,1H3,(H2,14,15)
InChIKeyVDCIFXFPMSEBJA-UHFFFAOYSA-N
XLogP0.58
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine (CID 58553173) is 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine is CN1CCN(CC2CCN(c3nnc(N)s3)CC2)CC1.
What is the InChIKey of 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VDCIFXFPMSEBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6S/c1-17-6-8-18(9-7-17)10-11-2-4-19(5-3-11)13-16-15-12(14)20-13/h11H,2-10H2,1H3,(H2,14,15).
What are the key properties of 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine?
5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 296.44 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 58553173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).