N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide

C22H23N5O2S — CID 42208504

IUPACN-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccccc1
InChIInChI=1S/C22H23N5O2S/c28-20(27-14-12-26(13-15-27)19-8-4-5-11-23-19)10-9-18-16-30-22(24-18)25-21(29)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,24,25,29)
InChIKeyGMKDHOWWCCJWEL-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.07
Rot. Bonds6

About N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide

N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42208504) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42208504
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccccc1
InChIInChI=1S/C22H23N5O2S/c28-20(27-14-12-26(13-15-27)19-8-4-5-11-23-19)10-9-18-16-30-22(24-18)25-21(29)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,24,25,29)
InChIKeyGMKDHOWWCCJWEL-UHFFFAOYSA-N
XLogP3.07
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide (CID 42208504) is N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccccc1.
What is the InChIKey of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is GMKDHOWWCCJWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c28-20(27-14-12-26(13-15-27)19-8-4-5-11-23-19)10-9-18-16-30-22(24-18)25-21(29)17-6-2-1-3-7-17/h1-8,11,16H,9-10,12-15H2,(H,24,25,29).
What are the key properties of N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 421.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42208504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).