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

C18H15BrN2OS — CID 2521214

IUPACN-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1Br
InChIInChI=1S/C18H15BrN2OS/c1-12-9-14(7-8-16(12)19)20-17(22)10-15-11-23-18(21-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyFTJNHNZBUITDFW-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.06
Rot. Bonds4

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

N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 2521214) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID2521214
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1Br
InChIInChI=1S/C18H15BrN2OS/c1-12-9-14(7-8-16(12)19)20-17(22)10-15-11-23-18(21-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyFTJNHNZBUITDFW-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 2521214) is N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cc1cc(NC(=O)Cc2csc(-c3ccccc3)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FTJNHNZBUITDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c1-12-9-14(7-8-16(12)19)20-17(22)10-15-11-23-18(21-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 387.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 2521214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).