2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide

C19H15ClN2O4S — CID 5162606

IUPAC2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C19H15ClN2O4S/c20-13-2-4-14(5-3-13)26-10-18(23)22-19-21-15(11-27-19)12-1-6-16-17(9-12)25-8-7-24-16/h1-6,9,11H,7-8,10H2,(H,21,22,23)
InChIKeyBEJWRKRYLHOCNE-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5162606) has the molecular formula C19H15ClN2O4S and a molecular weight of 402.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID5162606
Molecular FormulaC19H15ClN2O4S
Molecular Weight402.86 g/mol
Exact Mass402.04
IUPAC Name2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C19H15ClN2O4S/c20-13-2-4-14(5-3-13)26-10-18(23)22-19-21-15(11-27-19)12-1-6-16-17(9-12)25-8-7-24-16/h1-6,9,11H,7-8,10H2,(H,21,22,23)
InChIKeyBEJWRKRYLHOCNE-UHFFFAOYSA-N
XLogP4.25
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923
2-(4-acetylphenoxy)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 17430597
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
3-(4-chlorophenyl)sulfonyl-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 18573175
2-cyano-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 2356872
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 55388449
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918677
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 35847930
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenoxy)acetamide
CID 8571260

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide (CID 5162606) is 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BEJWRKRYLHOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4S/c20-13-2-4-14(5-3-13)26-10-18(23)22-19-21-15(11-27-19)12-1-6-16-17(9-12)25-8-7-24-16/h1-6,9,11H,7-8,10H2,(H,21,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.86 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5162606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).