N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C21H19BrN2O3S — CID 16549914

IUPACN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC4)n2)cc1Br
InChIInChI=1S/C21H19BrN2O3S/c1-26-19-8-6-15(10-17(19)22)18-12-28-21(23-18)24-20(25)11-27-16-7-5-13-3-2-4-14(13)9-16/h5-10,12H,2-4,11H2,1H3,(H,23,24,25)
InChIKeyNMSGLISFMIHWGB-UHFFFAOYSA-N
MW459.37 g/mol
LogP5.09
Rot. Bonds6

About N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 16549914) has the molecular formula C21H19BrN2O3S and a molecular weight of 459.37 g/mol. Its IUPAC name is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID16549914
Molecular FormulaC21H19BrN2O3S
Molecular Weight459.37 g/mol
Exact Mass458.03
IUPAC NameN-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC4)n2)cc1Br
InChIInChI=1S/C21H19BrN2O3S/c1-26-19-8-6-15(10-17(19)22)18-12-28-21(23-18)24-20(25)11-27-16-7-5-13-3-2-4-14(13)9-16/h5-10,12H,2-4,11H2,1H3,(H,23,24,25)
InChIKeyNMSGLISFMIHWGB-UHFFFAOYSA-N
XLogP5.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 1395837
2-(4-bromo-3-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227902
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5106839
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 1391807
2-(4-tert-butylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227816
2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227652
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921771
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33172797
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 16549914) is N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is COc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC4)n2)cc1Br.
What is the InChIKey of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is NMSGLISFMIHWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3S/c1-26-19-8-6-15(10-17(19)22)18-12-28-21(23-18)24-20(25)11-27-16-7-5-13-3-2-4-14(13)9-16/h5-10,12H,2-4,11H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 459.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 16549914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).