(4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

C16H20N4OS — CID 53035125

IUPAC(4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCCCN1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1
InChIInChI=1S/C16H20N4OS/c1-2-7-19-8-10-20(11-9-19)16(21)14-12-22-15(18-14)13-3-5-17-6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKeySCKZRNLZZXJKTP-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.37
Rot. Bonds4

About (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

(4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 53035125) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID53035125
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESCCCN1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1
InChIInChI=1S/C16H20N4OS/c1-2-7-19-8-10-20(11-9-19)16(21)14-12-22-15(18-14)13-3-5-17-6-4-13/h3-6,12H,2,7-11H2,1H3
InChIKeySCKZRNLZZXJKTP-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone 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 (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (CID 53035125) is (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is CCCN1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1.
What is the InChIKey of (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is SCKZRNLZZXJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-2-7-19-8-10-20(11-9-19)16(21)14-12-22-15(18-14)13-3-5-17-6-4-13/h3-6,12H,2,7-11H2,1H3.
What are the key properties of (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
(4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperazin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 53035125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).