N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

C12H11BrN2O2S — CID 22170781

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ncc(Br)s2)cc1
InChIInChI=1S/C12H11BrN2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)15-12-14-7-10(13)18-12/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyZDWDKTBDQFUTEJ-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.10
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 22170781) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID22170781
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ncc(Br)s2)cc1
InChIInChI=1S/C12H11BrN2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)15-12-14-7-10(13)18-12/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyZDWDKTBDQFUTEJ-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 46535725
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 60654828
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088
N-(5-bromo-1,3-thiazol-2-yl)butanamide
CID 22170788
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
5-[[2-(4-methoxyphenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 53039091

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 22170781) is N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ncc(Br)s2)cc1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZDWDKTBDQFUTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-17-9-4-2-8(3-5-9)6-11(16)15-12-14-7-10(13)18-12/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 327.20 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 22170781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).