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

C18H16BrN3OS — CID 30940457

IUPAC2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H16BrN3OS/c1-12-9-13(19)7-8-16(12)22-17(23)10-15-11-24-18(21-15)20-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyAYVJLQLRIURRGL-UHFFFAOYSA-N
MW402.32 g/mol
LogP5.14
Rot. Bonds5

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

2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide (PubChem CID 30940457) has the molecular formula C18H16BrN3OS and a molecular weight of 402.32 g/mol. Its IUPAC name is 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
PubChem CID30940457
Molecular FormulaC18H16BrN3OS
Molecular Weight402.32 g/mol
Exact Mass401.02
IUPAC Name2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
SMILESCc1cc(Br)ccc1NC(=O)Cc1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H16BrN3OS/c1-12-9-13(19)7-8-16(12)22-17(23)10-15-11-24-18(21-15)20-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyAYVJLQLRIURRGL-UHFFFAOYSA-N
XLogP5.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.32
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
2-(2-amino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide
CID 62795038
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305423
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
CID 73339054
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
N-(4-bromo-2-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 43320043
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 30267673
2-(2-amino-1,3-thiazol-4-yl)-N-(2,4-dibromophenyl)acetamide
CID 62799765
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43029721

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
The IUPAC name of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide (CID 30940457) is 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
The canonical SMILES for 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide is Cc1cc(Br)ccc1NC(=O)Cc1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
The InChIKey is AYVJLQLRIURRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3OS/c1-12-9-13(19)7-8-16(12)22-17(23)10-15-11-24-18(21-15)20-14-5-3-2-4-6-14/h2-9,11H,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide?
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide has a molecular weight of 402.32 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-1,3-thiazol-4-yl)-N-(4-bromo-2-methylphenyl)acetamide is sourced from PubChem (CID 30940457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).