2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H21N3O3S — CID 43021553

IUPAC2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H21N3O3S/c23-17(21-19-20-15-7-1-2-8-16(15)26-19)12-25-14-6-3-5-13(11-14)22-10-4-9-18(22)24/h3,5-6,11H,1-2,4,7-10,12H2,(H,20,21,23)
InChIKeyXAQNOIGYIZBOCC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 43021553) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID43021553
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C19H21N3O3S/c23-17(21-19-20-15-7-1-2-8-16(15)26-19)12-25-14-6-3-5-13(11-14)22-10-4-9-18(22)24/h3,5-6,11H,1-2,4,7-10,12H2,(H,20,21,23)
InChIKeyXAQNOIGYIZBOCC-UHFFFAOYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 84559858
2-(3-acetamidophenoxy)-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 30377211
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 29412100
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78889287
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3630491
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 30703287
3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675926
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 43021553) is 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(COc1cccc(N2CCCC2=O)c1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XAQNOIGYIZBOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(21-19-20-15-7-1-2-8-16(15)26-19)12-25-14-6-3-5-13(11-14)22-10-4-9-18(22)24/h3,5-6,11H,1-2,4,7-10,12H2,(H,20,21,23).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 371.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 43021553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).