[4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C20H20N2O4S — CID 118507052

IUPAC[4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN
InChIInChI=1S/C20H20N2O4S/c1-24-16-10-14(11-17(25-2)19(16)26-9-8-21)18(23)15-12-27-20(22-15)13-6-4-3-5-7-13/h3-7,10-12H,8-9,21H2,1-2H3
InChIKeyOOBLXSXHXSIGRW-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.40
Rot. Bonds8

About [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 118507052) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID118507052
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name[4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN
InChIInChI=1S/C20H20N2O4S/c1-24-16-10-14(11-17(25-2)19(16)26-9-8-21)18(23)15-12-27-20(22-15)13-6-4-3-5-7-13/h3-7,10-12H,8-9,21H2,1-2H3
InChIKeyOOBLXSXHXSIGRW-UHFFFAOYSA-N
XLogP3.40
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 118507052) is [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone is COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCCN.
What is the InChIKey of [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is OOBLXSXHXSIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-24-16-10-14(11-17(25-2)19(16)26-9-8-21)18(23)15-12-27-20(22-15)13-6-4-3-5-7-13/h3-7,10-12H,8-9,21H2,1-2H3.
What are the key properties of [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 384.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethoxy)-3,5-dimethoxyphenyl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118507052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).