2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

C13H15BrN2O2S — CID 924627

IUPAC2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2=NCCS2)c(Br)c1
InChIInChI=1S/C13H15BrN2O2S/c1-8-5-9(2)12(10(14)6-8)18-7-11(17)16-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyBMPCHYRPHAIIKP-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide

2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (PubChem CID 924627) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
PubChem CID924627
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)c(OCC(=O)NC2=NCCS2)c(Br)c1
InChIInChI=1S/C13H15BrN2O2S/c1-8-5-9(2)12(10(14)6-8)18-7-11(17)16-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyBMPCHYRPHAIIKP-UHFFFAOYSA-N
XLogP2.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4514036
2-(2-chloro-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4513717
2-(2-bromo-4,6-dimethylphenoxy)-N-pyridin-2-ylacetamide
CID 23737057
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
N-(2,6-dibromo-4-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5044299
2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 4031678
5-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-3-methylbenzoic acid
CID 28676599
3-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-4-propoxybenzamide
CID 17391545
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
2-(2-bromo-4,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 28628688
2-(2-bromo-4,6-dimethylphenoxy)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 43913612

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide (CID 924627) is 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is Cc1cc(C)c(OCC(=O)NC2=NCCS2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
The InChIKey is BMPCHYRPHAIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-8-5-9(2)12(10(14)6-8)18-7-11(17)16-13-15-3-4-19-13/h5-6H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide?
2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide has a molecular weight of 343.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 924627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).