4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C10H9BrN2OS — CID 924606

IUPAC4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14)
InChIKeyVSOYURKABNGYPK-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.28
Rot. Bonds1

About 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 924606) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID924606
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1ccc(Br)cc1
InChIInChI=1S/C10H9BrN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14)
InChIKeyVSOYURKABNGYPK-UHFFFAOYSA-N
XLogP2.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
N-(4,5-Dihydro-2-thiazolyl)-3-methylbenzamide
CID 799139
2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 771662
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 902925
4-cyano-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 2423237
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 821560
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 2402452
N-[4-(4-bromophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669678
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 924634
o-Toluamide, N-(2-thiazolidinylidene)-
CID 149475
Benzamide, N-(4,5-dihydro-2-thiazolyl)-3-(trifluoromethyl)-
CID 2676785

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 924606) is 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is VSOYURKABNGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-3-1-7(2-4-8)9(14)13-10-12-5-6-15-10/h1-4H,5-6H2,(H,12,13,14).
What are the key properties of 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 285.17 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 924606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).