4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C24H23N3S — CID 23932436

IUPAC4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC(CCc1ccccc1)n1c(-c2ccccc2)cs/c1=N\c1cccnc1
InChIInChI=1S/C24H23N3S/c1-19(14-15-20-9-4-2-5-10-20)27-23(21-11-6-3-7-12-21)18-28-24(27)26-22-13-8-16-25-17-22/h2-13,16-19H,14-15H2,1H3/b26-24-
InChIKeyLHWMAMNIUTWVEY-LCUIJRPUSA-N
MW385.54 g/mol
LogP6.04
Rot. Bonds6

About 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine

4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23932436) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23932436
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC Name4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC(CCc1ccccc1)n1c(-c2ccccc2)cs/c1=N\c1cccnc1
InChIInChI=1S/C24H23N3S/c1-19(14-15-20-9-4-2-5-10-20)27-23(21-11-6-3-7-12-21)18-28-24(27)26-22-13-8-16-25-17-22/h2-13,16-19H,14-15H2,1H3/b26-24-
InChIKeyLHWMAMNIUTWVEY-LCUIJRPUSA-N
XLogP6.04
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-(5-methylhexan-2-yl)-N-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23964269
4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23908951
6-(3-pentan-2-yl-2-pyridin-3-ylimino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 23905787
4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23904413
3-pentan-2-yl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23850785
4-(3-bromophenyl)-3-(2-methylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23736496
6-[2-(4-methoxyphenyl)imino-3-[(2S)-4-phenylbutan-2-yl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2436633
3-(3,3-diphenylpropyl)-4-(4-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23740403
4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-N-phenyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-2-imine
CID 3915117
4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
CID 56972572
4-(3-bromophenyl)-3-[2-(4-fluorophenyl)ethyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23791439
4-(4-bromophenyl)-3-[(4-methoxyphenyl)methyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23737102

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23932436) is 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine is CC(CCc1ccccc1)n1c(-c2ccccc2)cs/c1=N\c1cccnc1.
What is the InChIKey of 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is LHWMAMNIUTWVEY-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H23N3S/c1-19(14-15-20-9-4-2-5-10-20)27-23(21-11-6-3-7-12-21)18-28-24(27)26-22-13-8-16-25-17-22/h2-13,16-19H,14-15H2,1H3/b26-24-.
What are the key properties of 4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 385.54 g/mol, XLogP of 6.04, 6 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-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23932436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).