N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide

C11H9BrN2OS — CID 22170542

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ncc(Br)s1
InChIInChI=1S/C11H9BrN2OS/c12-9-7-13-11(16-9)14-10(15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15)
InChIKeyVQDHETXWBIZKEQ-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.09
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide (PubChem CID 22170542) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide
PubChem CID22170542
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ncc(Br)s1
InChIInChI=1S/C11H9BrN2OS/c12-9-7-13-11(16-9)14-10(15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15)
InChIKeyVQDHETXWBIZKEQ-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
N-2-Thiazolylbenzamide
CID 569547
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
4-Bromo-N-(1,3-thiazol-2-yl)benzamide
CID 603114
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
(S)-4-Cmtb
CID 46226252
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
2-bromo-N-(1,3-thiazol-2-yl)benzamide
CID 710579
2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1241668

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide (CID 22170542) is N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide?
The InChIKey is VQDHETXWBIZKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-9-7-13-11(16-9)14-10(15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide has a molecular weight of 297.18 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 22170542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).