5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine

C10H18N4S2 — CID 163468710

IUPAC5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCCCN2CCNCC2)s1
InChIInChI=1S/C10H18N4S2/c11-10-13-8-9(16-10)15-7-1-4-14-5-2-12-3-6-14/h8,12H,1-7H2,(H2,11,13)
InChIKeyBUUZXADNXOCKPC-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.11
Rot. Bonds5

About 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine

5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 163468710) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
PubChem CID163468710
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1ncc(SCCCN2CCNCC2)s1
InChIInChI=1S/C10H18N4S2/c11-10-13-8-9(16-10)15-7-1-4-14-5-2-12-3-6-14/h8,12H,1-7H2,(H2,11,13)
InChIKeyBUUZXADNXOCKPC-UHFFFAOYSA-N
XLogP1.11
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
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 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine (CID 163468710) is 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine is Nc1ncc(SCCCN2CCNCC2)s1.
What is the InChIKey of 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is BUUZXADNXOCKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c11-10-13-8-9(16-10)15-7-1-4-14-5-2-12-3-6-14/h8,12H,1-7H2,(H2,11,13).
What are the key properties of 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine?
5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 258.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylpropylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163468710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).