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

C17H13BrN2OS — CID 1321258

IUPAC2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13BrN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
InChIKeyDMSUUOJIXHETBO-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.75
Rot. Bonds4

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

2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1321258) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1321258
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC Name2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13BrN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21)
InChIKeyDMSUUOJIXHETBO-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1321258) is 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DMSUUOJIXHETBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-14-8-6-12(7-9-14)10-16(21)20-17-19-15(11-22-17)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of 2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide 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-bromophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1321258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).