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

C17H12Br2N2OS — CID 71713790

IUPAC2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(Br)c1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H12Br2N2OS/c18-13-6-4-12(5-7-13)15-10-23-17(20-15)21-16(22)9-11-2-1-3-14(19)8-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyOHYATPJGCKMEOE-UHFFFAOYSA-N
MW452.17 g/mol
LogP5.52
Rot. Bonds4

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

2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 71713790) has the molecular formula C17H12Br2N2OS and a molecular weight of 452.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID71713790
Molecular FormulaC17H12Br2N2OS
Molecular Weight452.17 g/mol
Exact Mass449.90
IUPAC Name2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1cccc(Br)c1)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H12Br2N2OS/c18-13-6-4-12(5-7-13)15-10-23-17(20-15)21-16(22)9-11-2-1-3-14(19)8-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyOHYATPJGCKMEOE-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.17
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide (CID 71713790) is 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1cccc(Br)c1)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OHYATPJGCKMEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2OS/c18-13-6-4-12(5-7-13)15-10-23-17(20-15)21-16(22)9-11-2-1-3-14(19)8-11/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 452.17 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 71713790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).