4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole

C16H19N3S — CID 163418785

IUPAC4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESC=C(C)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3S/c1-13(2)18-8-10-19(11-9-18)16-17-15(12-20-16)14-6-4-3-5-7-14/h3-7,12H,1,8-11H2,2H3
InChIKeyAGRMMTXEKDBGSS-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.47
Rot. Bonds3

About 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole

4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole (PubChem CID 163418785) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
PubChem CID163418785
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
SMILESC=C(C)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3S/c1-13(2)18-8-10-19(11-9-18)16-17-15(12-20-16)14-6-4-3-5-7-14/h3-7,12H,1,8-11H2,2H3
InChIKeyAGRMMTXEKDBGSS-UHFFFAOYSA-N
XLogP3.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole (CID 163418785) is 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole is C=C(C)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is AGRMMTXEKDBGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-13(2)18-8-10-19(11-9-18)16-17-15(12-20-16)14-6-4-3-5-7-14/h3-7,12H,1,8-11H2,2H3.
What are the key properties of 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole?
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 285.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 163418785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).