3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine

C11H21N5S — CID 43663999

IUPAC3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCN1CCN(CCCNCc2csnn2)CC1
InChIInChI=1S/C11H21N5S/c1-15-5-7-16(8-6-15)4-2-3-12-9-11-10-17-14-13-11/h10,12H,2-9H2,1H3
InChIKeyVERRBXKZBYQBDG-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.27
Rot. Bonds6

About 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43663999) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43663999
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCN1CCN(CCCNCc2csnn2)CC1
InChIInChI=1S/C11H21N5S/c1-15-5-7-16(8-6-15)4-2-3-12-9-11-10-17-14-13-11/h10,12H,2-9H2,1H3
InChIKeyVERRBXKZBYQBDG-UHFFFAOYSA-N
XLogP0.27
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43663999) is 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine is CN1CCN(CCCNCc2csnn2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is VERRBXKZBYQBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-15-5-7-16(8-6-15)4-2-3-12-9-11-10-17-14-13-11/h10,12H,2-9H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43663999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).