4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole

C10H13N3S — CID 164648652

IUPAC4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
SMILESC(#Cc1cnsc1)CN1CCNCC1
InChIInChI=1S/C10H13N3S/c1(2-10-8-12-14-9-10)5-13-6-3-11-4-7-13/h8-9,11H,3-7H2
InChIKeyUDENXTZKHHRNQN-UHFFFAOYSA-N
MW207.30 g/mol
LogP0.40
Rot. Bonds1

About 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole

4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole (PubChem CID 164648652) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole.

Molecular Properties

Compound Name4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
PubChem CID164648652
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
SMILESC(#Cc1cnsc1)CN1CCNCC1
InChIInChI=1S/C10H13N3S/c1(2-10-8-12-14-9-10)5-13-6-3-11-4-7-13/h8-9,11H,3-7H2
InChIKeyUDENXTZKHHRNQN-UHFFFAOYSA-N
XLogP0.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
The IUPAC name of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole (CID 164648652) is 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole.
What is the SMILES notation for 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
The canonical SMILES for 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole is C(#Cc1cnsc1)CN1CCNCC1.
What is the InChIKey of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
The InChIKey is UDENXTZKHHRNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1(2-10-8-12-14-9-10)5-13-6-3-11-4-7-13/h8-9,11H,3-7H2.
What are the key properties of 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole?
4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole has a molecular weight of 207.30 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole is sourced from PubChem (CID 164648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).