(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine

C18H17N3S — CID 7959634

IUPAC(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1/N=C\c1ccccc1
InChIInChI=1S/C18H17N3S/c1-2-19-18-21(20-13-15-9-5-3-6-10-15)17(14-22-18)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b19-18-,20-13-
InChIKeyOICXGSLQALODRL-RYCMDIMXSA-N
MW307.42 g/mol
LogP4.02
Rot. Bonds4

About (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine

(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine (PubChem CID 7959634) has the molecular formula C18H17N3S and a molecular weight of 307.42 g/mol. Its IUPAC name is (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
PubChem CID7959634
Molecular FormulaC18H17N3S
Molecular Weight307.42 g/mol
Exact Mass307.11
IUPAC Name(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2ccccc2)n1/N=C\c1ccccc1
InChIInChI=1S/C18H17N3S/c1-2-19-18-21(20-13-15-9-5-3-6-10-15)17(14-22-18)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b19-18-,20-13-
InChIKeyOICXGSLQALODRL-RYCMDIMXSA-N
XLogP4.02
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(Z)-N-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7974865
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
N-ethyl-4-phenyl-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135610385
(Z)-N-(2-methoxyethyl)-3-[(Z)-(4-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7975500
4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993224
(E)-4-(3-bromophenyl)-N-ethyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901121
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
4-(4-bromophenyl)-N-ethyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 4318026
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226
4-(4-bromophenyl)-3-[(2-chlorophenyl)methylideneamino]-N-ethyl-1,3-thiazol-2-imine
CID 3464210

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine (CID 7959634) is (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2ccccc2)n1/N=C\c1ccccc1.
What is the InChIKey of (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is OICXGSLQALODRL-RYCMDIMXSA-N. The full InChI is InChI=1S/C18H17N3S/c1-2-19-18-21(20-13-15-9-5-3-6-10-15)17(14-22-18)16-11-7-4-8-12-16/h3-14H,2H2,1H3/b19-18-,20-13-.
What are the key properties of (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine?
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 307.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 7959634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).