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

C15H17BrN2O2S — CID 19178868

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C15H17BrN2O2S/c1-8-5-12(16)6-9(2)14(8)20-7-13(19)18-15-17-10(3)11(4)21-15/h5-6H,7H2,1-4H3,(H,17,18,19)
InChIKeyXUINQYJRTKLPJP-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.16
Rot. Bonds4

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

2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19178868) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19178868
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Br)cc(C)c1OCC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C15H17BrN2O2S/c1-8-5-12(16)6-9(2)14(8)20-7-13(19)18-15-17-10(3)11(4)21-15/h5-6H,7H2,1-4H3,(H,17,18,19)
InChIKeyXUINQYJRTKLPJP-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2,6-dimethylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19175891
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178865
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
2-(2-bromo-4-phenylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 2195943
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178619
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 47413054
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19175491
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-3-methylphenyl]-2-methylphenyl]acetamide
CID 3343773
2-(4-bromo-2,6-dimethylphenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 1191397
2-(2,4-dibromo-6-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 4514036
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 2195651

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19178868) is 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XUINQYJRTKLPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-8-5-12(16)6-9(2)14(8)20-7-13(19)18-15-17-10(3)11(4)21-15/h5-6H,7H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 369.28 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19178868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).