2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

C18H15BrN2O2S — CID 7917594

IUPAC2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)COc2cccc(Br)c2)c2ccccc2)n1
InChIInChI=1S/C18H15BrN2O2S/c1-13-12-24-18(20-13)21(15-7-3-2-4-8-15)17(22)11-23-16-9-5-6-14(19)10-16/h2-10,12H,11H2,1H3
InChIKeyDTLZXXSNMQSQBP-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.96
Rot. Bonds5

About 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide

2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 7917594) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID7917594
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)COc2cccc(Br)c2)c2ccccc2)n1
InChIInChI=1S/C18H15BrN2O2S/c1-13-12-24-18(20-13)21(15-7-3-2-4-8-15)17(22)11-23-16-9-5-6-14(19)10-16/h2-10,12H,11H2,1H3
InChIKeyDTLZXXSNMQSQBP-UHFFFAOYSA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42999079
(E)-3-(3-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 26176564
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286556
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 16549645
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
CID 112765245
N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51133637
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 27872001
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 7917594) is 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1csc(N(C(=O)COc2cccc(Br)c2)c2ccccc2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is DTLZXXSNMQSQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c1-13-12-24-18(20-13)21(15-7-3-2-4-8-15)17(22)11-23-16-9-5-6-14(19)10-16/h2-10,12H,11H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 403.30 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 7917594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).