2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C22H26N4OS — CID 167107047

IUPAC2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESC=Nc1nc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)sc1/C=C\C
InChIInChI=1S/C22H26N4OS/c1-3-4-19-21(23-2)24-22(28-19)26-13-11-25(12-14-26)20(27)15-16-5-7-17(8-6-16)18-9-10-18/h3-8,18H,2,9-15H2,1H3/b4-3-
InChIKeyUSPIDIBQXDOZPG-ARJAWSKDSA-N
MW394.54 g/mol
LogP4.28
Rot. Bonds6

About 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 167107047) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID167107047
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESC=Nc1nc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)sc1/C=C\C
InChIInChI=1S/C22H26N4OS/c1-3-4-19-21(23-2)24-22(28-19)26-13-11-25(12-14-26)20(27)15-16-5-7-17(8-6-16)18-9-10-18/h3-8,18H,2,9-15H2,1H3/b4-3-
InChIKeyUSPIDIBQXDOZPG-ARJAWSKDSA-N
XLogP4.28
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone 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-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
CID 142616895
2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone
CID 164971057
ethyl 4-[2-(4-cyclohexylphenyl)acetyl]piperazine-1-carboxylate
CID 110803487
1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
CID 155161645
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108729687
1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 7597390
2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 165093324
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 164951191
N-[4-[2-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 108729725

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 167107047) is 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is C=Nc1nc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)sc1/C=C\C.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is USPIDIBQXDOZPG-ARJAWSKDSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-3-4-19-21(23-2)24-22(28-19)26-13-11-25(12-14-26)20(27)15-16-5-7-17(8-6-16)18-9-10-18/h3-8,18H,2,9-15H2,1H3/b4-3-.
What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 394.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1-[4-[4-(methylideneamino)-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 167107047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).