4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine

C22H23N3S — CID 23733179

IUPAC4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1N=C(C)CCc1ccccc1
InChIInChI=1S/C22H23N3S/c1-3-16-23-22-25(21(17-26-22)20-12-8-5-9-13-20)24-18(2)14-15-19-10-6-4-7-11-19/h3-13,17H,1,14-16H2,2H3/b23-22-,24-18?
InChIKeyZKKDHAYMQPTPPR-NPGRVFEXSA-N
MW361.51 g/mol
LogP5.16
Rot. Bonds7

About 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine

4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23733179) has the molecular formula C22H23N3S and a molecular weight of 361.51 g/mol. Its IUPAC name is 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23733179
Molecular FormulaC22H23N3S
Molecular Weight361.51 g/mol
Exact Mass361.16
IUPAC Name4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2)n1N=C(C)CCc1ccccc1
InChIInChI=1S/C22H23N3S/c1-3-16-23-22-25(21(17-26-22)20-12-8-5-9-13-20)24-18(2)14-15-19-10-6-4-7-11-19/h3-13,17H,1,14-16H2,2H3/b23-22-,24-18?
InChIKeyZKKDHAYMQPTPPR-NPGRVFEXSA-N
XLogP5.16
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine
CID 23794045
4-[C-methyl-N-(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)carbonimidoyl]benzene-1,3-diol
CID 135770844
3-(4-methylpentan-2-ylideneamino)-4-(4-nitrophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23760996
2,6-dimethoxy-4-[(4-phenyl-2-prop-2-enylimino-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135839028
2-[N-[4-(4-bromophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135554108
N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 23936914
4-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
CID 23963655
4-(2,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23767611
4-[N-[4-(3,4-dimethylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135841566
3-[1-(4-fluorophenyl)ethylideneamino]-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23990270
N-(2-phenylethyl)-4-(4-phenylphenyl)-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2364664
1-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)ethanone
CID 56972521

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine (CID 23733179) is 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2)n1N=C(C)CCc1ccccc1.
What is the InChIKey of 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is ZKKDHAYMQPTPPR-NPGRVFEXSA-N. The full InChI is InChI=1S/C22H23N3S/c1-3-16-23-22-25(21(17-26-22)20-12-8-5-9-13-20)24-18(2)14-15-19-10-6-4-7-11-19/h3-13,17H,1,14-16H2,2H3/b23-22-,24-18?.
What are the key properties of 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine?
4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 361.51 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(4-phenylbutan-2-ylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23733179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).