N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

C11H10BrN3O2S — CID 108530774

IUPACN-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C11H10BrN3O2S/c12-7-3-1-2-4-8(7)14-9(16)10(17)15-11-13-5-6-18-11/h1-4H,5-6H2,(H,14,16)(H,13,15,17)
InChIKeyHZECEJYOLZVDJA-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.61
Rot. Bonds1

About N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (PubChem CID 108530774) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
PubChem CID108530774
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC NameN-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESO=C(NC1=NCCS1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C11H10BrN3O2S/c12-7-3-1-2-4-8(7)14-9(16)10(17)15-11-13-5-6-18-11/h1-4H,5-6H2,(H,14,16)(H,13,15,17)
InChIKeyHZECEJYOLZVDJA-UHFFFAOYSA-N
XLogP1.61
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527494
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108530808
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108529070
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
2-amino-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 163590328
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108514840
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(4-methyl-2-pyridinyl)oxamide
CID 108530798
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N-cyclopropyl-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108530766
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520051
(Z)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855351

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (CID 108530774) is N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is O=C(NC1=NCCS1)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The InChIKey is HZECEJYOLZVDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-7-3-1-2-4-8(7)14-9(16)10(17)15-11-13-5-6-18-11/h1-4H,5-6H2,(H,14,16)(H,13,15,17).
What are the key properties of N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide has a molecular weight of 328.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108530774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).