2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C19H17BrN2O3S2 — CID 2456678

IUPAC2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(Br)cc3)n2)c1
InChIInChI=1S/C19H17BrN2O3S2/c1-24-13-5-8-17(25-2)15(9-13)16-10-27-19(21-16)22-18(23)11-26-14-6-3-12(20)4-7-14/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyVORWCJCXFQMWKZ-UHFFFAOYSA-N
MW465.39 g/mol
LogP5.32
Rot. Bonds7

About 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2456678) has the molecular formula C19H17BrN2O3S2 and a molecular weight of 465.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2456678
Molecular FormulaC19H17BrN2O3S2
Molecular Weight465.39 g/mol
Exact Mass463.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(Br)cc3)n2)c1
InChIInChI=1S/C19H17BrN2O3S2/c1-24-13-5-8-17(25-2)15(9-13)16-10-27-19(21-16)22-18(23)11-26-14-6-3-12(20)4-7-14/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyVORWCJCXFQMWKZ-UHFFFAOYSA-N
XLogP5.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.39
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 735048
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-propionamide
CID 861949
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenylacetamide
CID 1138502
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
(2E)-N-{[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-3-phenylprop-2-enamide
CID 1887341
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2091391
N-(4-(2,5-dimethoxyphenyl)thiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2114184
N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-2-[(4-nitrophenyl)thio]acetamide
CID 2114703
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(phenylsulfanyl)acetamide
CID 2476607
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4458112
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4673629

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 2456678) is 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(Br)cc3)n2)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VORWCJCXFQMWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S2/c1-24-13-5-8-17(25-2)15(9-13)16-10-27-19(21-16)22-18(23)11-26-14-6-3-12(20)4-7-14/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 465.39 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2456678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).