4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole

C16H21N3S — CID 63342212

IUPAC4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
SMILESCCC(c1nc(-c2ccccc2)cs1)N1CCNCC1
InChIInChI=1S/C16H21N3S/c1-2-15(19-10-8-17-9-11-19)16-18-14(12-20-16)13-6-4-3-5-7-13/h3-7,12,15,17H,2,8-11H2,1H3
InChIKeySKJBVFRGHHMMOW-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.17
Rot. Bonds4

About 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole

4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole (PubChem CID 63342212) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
PubChem CID63342212
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole
SMILESCCC(c1nc(-c2ccccc2)cs1)N1CCNCC1
InChIInChI=1S/C16H21N3S/c1-2-15(19-10-8-17-9-11-19)16-18-14(12-20-16)13-6-4-3-5-7-13/h3-7,12,15,17H,2,8-11H2,1H3
InChIKeySKJBVFRGHHMMOW-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole (CID 63342212) is 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole is CCC(c1nc(-c2ccccc2)cs1)N1CCNCC1.
What is the InChIKey of 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole?
The InChIKey is SKJBVFRGHHMMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-15(19-10-8-17-9-11-19)16-18-14(12-20-16)13-6-4-3-5-7-13/h3-7,12,15,17H,2,8-11H2,1H3.
What are the key properties of 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole?
4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(1-piperazin-1-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 63342212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).