(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine

C24H20BrN3S — CID 162661577

IUPAC(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
SMILESCC/C(=N\N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C24H20BrN3S/c1-2-22(19-12-9-13-20(25)16-19)26-27-24-28(21-14-7-4-8-15-21)23(17-29-24)18-10-5-3-6-11-18/h3-17H,2H2,1H3/b26-22+,27-24-
InChIKeyWLQUHTBUBBCZQQ-VMYVUXIHSA-N
MW462.42 g/mol
LogP6.68
Rot. Bonds5

About (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine

(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine (PubChem CID 162661577) has the molecular formula C24H20BrN3S and a molecular weight of 462.42 g/mol. Its IUPAC name is (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
PubChem CID162661577
Molecular FormulaC24H20BrN3S
Molecular Weight462.42 g/mol
Exact Mass461.06
IUPAC Name(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
SMILESCC/C(=N\N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C24H20BrN3S/c1-2-22(19-12-9-13-20(25)16-19)26-27-24-28(21-14-7-4-8-15-21)23(17-29-24)18-10-5-3-6-11-18/h3-17H,2H2,1H3/b26-22+,27-24-
InChIKeyWLQUHTBUBBCZQQ-VMYVUXIHSA-N
XLogP6.68
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.42
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(e)-2-[(Adamantan-2-ylidene)hydrazono]-4-(4-bromophenyl)-3-(4-fluorophenyl)-2,3-dihydrothiazole
CID 177866740
(E)-N-(cyclohexylideneamino)-3-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-imine
CID 5811740
(E)-3,4-diphenyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 6223146
2-Isopropylidenehydrazono-3,4-diphenyl-2,3-dihydro-1,3-thiazole
CID 6389433
(1Z,2E)-1-(3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-2-(1-p-tolylethylidene)hydrazine
CID 168327019
(2E)-4-(4-Bromophenyl)-2-{(2Z)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3-phenyl-2,3-dihydro-1,3-thiazole
CID 168327037
(Z)-4-(4-bromophenyl)-N-(cyclopentylideneamino)-3-phenyl-1,3-thiazol-2-imine
CID 177459324
(e)-[(Adamantan-2-ylidene)hydrazono]-4-(4-bromophenyl)-3-phenyl-2,3-dihydrothiazole
CID 177866716
N-[(2E)-4-(4-bromophenyl)-3-phenyl-1,3-thiazol-2(3H)-ylidene]aniline
CID 1934758
(2E)-4-(4-Bromophenyl)-N,3-bis(4-methylphenyl)-2,3-dihydro-1,3-thiazol-2-imine
CID 3305573
(Z)-2-(cyclohexylidenehydrazono)-4-phenyl-3-(p-tolyl)-2,3-dihydrothiazole
CID 9666989
(Z)-N-(4-(4-bromophenyl)-3-phenylthiazol-2(3H)-ylidene)-1-phenylmethanamine hydrobromide
CID 16463755

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine (CID 162661577) is (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine is CC/C(=N\N=c1/scc(-c2ccccc2)n1-c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
The InChIKey is WLQUHTBUBBCZQQ-VMYVUXIHSA-N. The full InChI is InChI=1S/C24H20BrN3S/c1-2-22(19-12-9-13-20(25)16-19)26-27-24-28(21-14-7-4-8-15-21)23(17-29-24)18-10-5-3-6-11-18/h3-17H,2H2,1H3/b26-22+,27-24-.
What are the key properties of (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine?
(Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine has a molecular weight of 462.42 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-(3-bromophenyl)propylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 162661577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).