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

C12H12BrN3OS — CID 3488325

IUPACN-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H12BrN3OS/c1-8-6-9(2-3-10(8)13)15-11(17)7-16-4-5-18-12(16)14/h2-6,14H,7H2,1H3,(H,15,17)/b14-12-
InChIKeyNKMPFKYXJHBQJE-OWBHPGMISA-N
MW326.22 g/mol
LogP2.74
Rot. Bonds3

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

N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (PubChem CID 3488325) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
PubChem CID3488325
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H12BrN3OS/c1-8-6-9(2-3-10(8)13)15-11(17)7-16-4-5-18-12(16)14/h2-6,14H,7H2,1H3,(H,15,17)/b14-12-
InChIKeyNKMPFKYXJHBQJE-OWBHPGMISA-N
XLogP2.74
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 4537458
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 3568385
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 8716246
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(4,5-dimethyl-2-nitrophenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 3895466
2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
CID 91481035
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
[2-(4-bromo-3-methylanilino)-2-oxoethyl] N-(diaminomethylidene)carbamimidothioate
CID 83083373
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide chloride
CID 53314557

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide (CID 3488325) is N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is [H]/N=c1\sccn1CC(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
The InChIKey is NKMPFKYXJHBQJE-OWBHPGMISA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-8-6-9(2-3-10(8)13)15-11(17)7-16-4-5-18-12(16)14/h2-6,14H,7H2,1H3,(H,15,17)/b14-12-.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide?
N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide has a molecular weight of 326.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 3488325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).