2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride

C19H27Cl2N5O2S — CID 67030732

IUPAC2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCC(=O)N1CCN(c2nc(CCc3ccc(CC(=O)NN)cc3)cs2)CC1.Cl.Cl
InChIInChI=1S/C19H25N5O2S.2ClH/c1-14(25)23-8-10-24(11-9-23)19-21-17(13-27-19)7-6-15-2-4-16(5-3-15)12-18(26)22-20;;/h2-5,13H,6-12,20H2,1H3,(H,22,26);2*1H
InChIKeyWSZMQSROHINDBY-UHFFFAOYSA-N
MW460.43 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride

2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride (PubChem CID 67030732) has the molecular formula C19H27Cl2N5O2S and a molecular weight of 460.43 g/mol. Its IUPAC name is 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
PubChem CID67030732
Molecular FormulaC19H27Cl2N5O2S
Molecular Weight460.43 g/mol
Exact Mass459.13
IUPAC Name2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCC(=O)N1CCN(c2nc(CCc3ccc(CC(=O)NN)cc3)cs2)CC1.Cl.Cl
InChIInChI=1S/C19H25N5O2S.2ClH/c1-14(25)23-8-10-24(11-9-23)19-21-17(13-27-19)7-6-15-2-4-16(5-3-15)12-18(26)22-20;;/h2-5,13H,6-12,20H2,1H3,(H,22,26);2*1H
InChIKeyWSZMQSROHINDBY-UHFFFAOYSA-N
XLogP1.97
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride 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 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The IUPAC name of 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride (CID 67030732) is 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The canonical SMILES for 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride is CC(=O)N1CCN(c2nc(CCc3ccc(CC(=O)NN)cc3)cs2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
The InChIKey is WSZMQSROHINDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S.2ClH/c1-14(25)23-8-10-24(11-9-23)19-21-17(13-27-19)7-6-15-2-4-16(5-3-15)12-18(26)22-20;;/h2-5,13H,6-12,20H2,1H3,(H,22,26);2*1H.
What are the key properties of 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride?
2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride has a molecular weight of 460.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(4-acetylpiperazin-1-yl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide;dihydrochloride is sourced from PubChem (CID 67030732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).