2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide

C18H19BrN2OS — CID 12005521

IUPAC2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
SMILESBr.O=C(CN1CCS/C1=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H/b19-18-;
InChIKeyGTECZZIEHURJBL-TVWXOORISA-N
MW391.33 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide

2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide (PubChem CID 12005521) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
PubChem CID12005521
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide
SMILESBr.O=C(CN1CCS/C1=N\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H/b19-18-;
InChIKeyGTECZZIEHURJBL-TVWXOORISA-N
XLogP4.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669182
N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
CID 102273912
(E)-2-(2-(benzylimino)thiazolidin-3-yl)-1-(4-chlorophenyl)ethanone hydrobromide
CID 12005515
2-[Benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide
CID 12006290
CID 15944810
CID 15944810
N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide
CID 118389733
2-[(2E)-2-(benzylimino)-1,3-thiazolidin-3-yl]-1-(3,4-dichlorophenyl)ethanone
CID 4656759
(E)-2-(2-(benzylimino)thiazolidin-3-yl)-1-(3,4-dichlorophenyl)ethanone hydrobromide
CID 12005901
2-[Benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-chlorophenyl)ethanone;hydrobromide
CID 12006248
2-(Benzyl(4,5-dihydrothiazol-2-yl)amino)-1-(p-tolyl)ethanone hydrobromide
CID 12006283
[4-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-phenylmethanone
CID 44571919
2-(2-Iminothiazolidin-3-yl)-1-phenylethan-1-one
CID 81157

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
The IUPAC name of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide (CID 12005521) is 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide is Br.O=C(CN1CCS/C1=N\Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
The InChIKey is GTECZZIEHURJBL-TVWXOORISA-N. The full InChI is InChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H/b19-18-;.
What are the key properties of 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide?
2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide has a molecular weight of 391.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylimino-1,3-thiazolidin-3-yl)-1-phenylethanone;hydrobromide is sourced from PubChem (CID 12005521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).