4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

C22H18BrN3S — CID 23908951

IUPAC4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC(c1ccccc1)n1c(-c2cccc(Br)c2)cs/c1=N\c1cccnc1
InChIInChI=1S/C22H18BrN3S/c1-16(17-7-3-2-4-8-17)26-21(18-9-5-10-19(23)13-18)15-27-22(26)25-20-11-6-12-24-14-20/h2-16H,1H3/b25-22-
InChIKeyYBNPTIZUYOIWHD-LVWGJNHUSA-N
MW436.38 g/mol
LogP6.22
Rot. Bonds4

About 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine

4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 23908951) has the molecular formula C22H18BrN3S and a molecular weight of 436.38 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID23908951
Molecular FormulaC22H18BrN3S
Molecular Weight436.38 g/mol
Exact Mass435.04
IUPAC Name4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCC(c1ccccc1)n1c(-c2cccc(Br)c2)cs/c1=N\c1cccnc1
InChIInChI=1S/C22H18BrN3S/c1-16(17-7-3-2-4-8-17)26-21(18-9-5-10-19(23)13-18)15-27-22(26)25-20-11-6-12-24-14-20/h2-16H,1H3/b25-22-
InChIKeyYBNPTIZUYOIWHD-LVWGJNHUSA-N
XLogP6.22
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.38
LogP ≤ 56.22
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

4-(3-bromophenyl)-3-(2-methylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23736496
4-phenyl-3-(4-phenylbutan-2-yl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23932436
4-(3-bromophenyl)-3-[2-(4-fluorophenyl)ethyl]-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23791439
4-(6-methoxynaphthalen-2-yl)-3-propan-2-yl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23904413
4-(3-nitrophenyl)-3-(1-phenylethyl)-N-(4-propan-2-ylphenyl)-1,3-thiazol-2-imine
CID 23905664
4-[[4-(3-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135823313
3-(5-methylhexan-2-yl)-N-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23964269
4-(3-bromophenyl)-N-phenyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2455204
6-(3-pentan-2-yl-2-pyridin-3-ylimino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 23905787
5-(3-bromophenyl)-3-methyl-N-phenyl-1,3,4-thiadiazol-2-imine
CID 10569573
4-bromo-2-[[4-(2-bromophenyl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135693034
3-(3,3-diphenylpropyl)-4-(4-nitrophenyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23740403

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 23908951) is 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is CC(c1ccccc1)n1c(-c2cccc(Br)c2)cs/c1=N\c1cccnc1.
What is the InChIKey of 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is YBNPTIZUYOIWHD-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H18BrN3S/c1-16(17-7-3-2-4-8-17)26-21(18-9-5-10-19(23)13-18)15-27-22(26)25-20-11-6-12-24-14-20/h2-16H,1H3/b25-22-.
What are the key properties of 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine?
4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 436.38 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(1-phenylethyl)-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23908951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).