2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide

C17H13BrN2OS — CID 2213605

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(-c2ccc(Br)cc2)cs1)Nc1ccccc1
InChIInChI=1S/C17H13BrN2OS/c18-13-8-6-12(7-9-13)15-11-22-17(20-15)10-16(21)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,21)
InChIKeyFIBHFQKKRDJEDS-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.75
Rot. Bonds4

About 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 2213605) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID2213605
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESO=C(Cc1nc(-c2ccc(Br)cc2)cs1)Nc1ccccc1
InChIInChI=1S/C17H13BrN2OS/c18-13-8-6-12(7-9-13)15-11-22-17(20-15)10-16(21)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,21)
InChIKeyFIBHFQKKRDJEDS-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 8964779
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
N-[4-[2-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 9343938
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962794
4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
CID 79839439
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide (CID 2213605) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide is O=C(Cc1nc(-c2ccc(Br)cc2)cs1)Nc1ccccc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is FIBHFQKKRDJEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-13-8-6-12(7-9-13)15-11-22-17(20-15)10-16(21)19-14-4-2-1-3-5-14/h1-9,11H,10H2,(H,19,21).
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 373.28 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 2213605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).