5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one

C16H21N3OS — CID 3039604

IUPAC5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESCCCN1CCN(C2=NC(=O)C(c3ccccc3)S2)CC1
InChIInChI=1S/C16H21N3OS/c1-2-8-18-9-11-19(12-10-18)16-17-15(20)14(21-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeySNDZLZYFBKDMJP-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.38
Rot. Bonds3

About 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one

5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one (PubChem CID 3039604) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
PubChem CID3039604
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one
SMILESCCCN1CCN(C2=NC(=O)C(c3ccccc3)S2)CC1
InChIInChI=1S/C16H21N3OS/c1-2-8-18-9-11-19(12-10-18)16-17-15(20)14(21-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeySNDZLZYFBKDMJP-UHFFFAOYSA-N
XLogP2.38
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
The IUPAC name of 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one (CID 3039604) is 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
The canonical SMILES for 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one is CCCN1CCN(C2=NC(=O)C(c3ccccc3)S2)CC1.
What is the InChIKey of 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
The InChIKey is SNDZLZYFBKDMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-8-18-9-11-19(12-10-18)16-17-15(20)14(21-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one?
5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one has a molecular weight of 303.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 3039604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).