2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide

C18H19BrN2OS — CID 12006290

IUPAC2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide
SMILESBr.O=C(CN(Cc1ccccc1)C1=NCCS1)c1ccccc1
InChIInChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20(18-19-11-12-22-18)13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H
InChIKeyQHXBKBJSLBNVAI-UHFFFAOYSA-N
MW391.33 g/mol
LogP4.05
Rot. Bonds5

About 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide

2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide (PubChem CID 12006290) has the molecular formula C18H19BrN2OS and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide
PubChem CID12006290
Molecular FormulaC18H19BrN2OS
Molecular Weight391.33 g/mol
Exact Mass390.04
IUPAC Name2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide
SMILESBr.O=C(CN(Cc1ccccc1)C1=NCCS1)c1ccccc1
InChIInChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20(18-19-11-12-22-18)13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H
InChIKeyQHXBKBJSLBNVAI-UHFFFAOYSA-N
XLogP4.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 12514894
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669182
N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669853
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
N-(4-phenyl-3-prop-2-ynyl-1,3-thiazol-2-ylidene)benzamide
CID 118389687
N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide
CID 118389733
2-{2-[(E)-Benzylimino]-thiazolidin-3-yl}-1-phenyl-ethanone
CID 12005521
3-Benzyl-6-methyl-2-phenacylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4301358
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

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide?
The IUPAC name of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide (CID 12006290) is 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide is Br.O=C(CN(Cc1ccccc1)C1=NCCS1)c1ccccc1.
What is the InChIKey of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide?
The InChIKey is QHXBKBJSLBNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20(18-19-11-12-22-18)13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H.
What are the key properties of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide?
2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide has a molecular weight of 391.33 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-phenylethanone;hydrobromide is sourced from PubChem (CID 12006290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).