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

C12H12BrN3OS — CID 110694148

IUPACN-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNc2nccs2)c(Br)c1
InChIInChI=1S/C12H12BrN3OS/c1-8-2-3-10(9(13)6-8)16-11(17)7-15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyKATVNLOEPOGMPH-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.26
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide (PubChem CID 110694148) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
PubChem CID110694148
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
SMILESCc1ccc(NC(=O)CNc2nccs2)c(Br)c1
InChIInChI=1S/C12H12BrN3OS/c1-8-2-3-10(9(13)6-8)16-11(17)7-15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyKATVNLOEPOGMPH-UHFFFAOYSA-N
XLogP3.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
N-pyrimidin-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694143
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 113000553
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
2-bromo-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 82124615
2-(2-bromo-4-methylanilino)-N-(2-methylphenyl)acetamide
CID 42070082
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
N-(2-phenoxyphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694157

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide (CID 110694148) is N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide is Cc1ccc(NC(=O)CNc2nccs2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide?
The InChIKey is KATVNLOEPOGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-8-2-3-10(9(13)6-8)16-11(17)7-15-12-14-4-5-18-12/h2-6H,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide?
N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide has a molecular weight of 326.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide is sourced from PubChem (CID 110694148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).