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

C10H9BrN2OS — CID 902925

IUPAC3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-3,6H,4-5H2,(H,12,13,14)
InChIKeyKQAMRXZJRBAQBO-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.28
Rot. Bonds1

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

3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 902925) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID902925
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESO=C(NC1=NCCS1)c1cccc(Br)c1
InChIInChI=1S/C10H9BrN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-3,6H,4-5H2,(H,12,13,14)
InChIKeyKQAMRXZJRBAQBO-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 902925) is 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is O=C(NC1=NCCS1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is KQAMRXZJRBAQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-3,6H,4-5H2,(H,12,13,14).
What are the key properties of 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-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 3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 902925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).