5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine

C12H22N4S — CID 90955802

IUPAC5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine
SMILESNC(CCCCN1CCNCC1)c1cncs1
InChIInChI=1S/C12H22N4S/c13-11(12-9-15-10-17-12)3-1-2-6-16-7-4-14-5-8-16/h9-11,14H,1-8,13H2
InChIKeyKRADUEMLLRYCMO-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.22
Rot. Bonds6

About 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine

5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine (PubChem CID 90955802) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine
PubChem CID90955802
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine
SMILESNC(CCCCN1CCNCC1)c1cncs1
InChIInChI=1S/C12H22N4S/c13-11(12-9-15-10-17-12)3-1-2-6-16-7-4-14-5-8-16/h9-11,14H,1-8,13H2
InChIKeyKRADUEMLLRYCMO-UHFFFAOYSA-N
XLogP1.22
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine?
The IUPAC name of 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine (CID 90955802) is 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine is NC(CCCCN1CCNCC1)c1cncs1.
What is the InChIKey of 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine?
The InChIKey is KRADUEMLLRYCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c13-11(12-9-15-10-17-12)3-1-2-6-16-7-4-14-5-8-16/h9-11,14H,1-8,13H2.
What are the key properties of 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine?
5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-1-(1,3-thiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 90955802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).