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

Related Compounds

2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
CID 67030460
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide
CID 44538060
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
CID 67030184
2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67029947
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]methanesulfonamide;hydrochloride
CID 87242893
2-[4-[2-[2-(ethylsulfonylmethyl)-1,3-thiazol-4-yl]ethyl]phenyl]acetohydrazide
CID 58181353
2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030804
N-[4-[2-[4-(2-hydrazinyl-2-oxoethyl)phenyl]ethyl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 44538377
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
CID 119888171
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 154905954

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).