N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide

C20H19N3O2S — CID 71854602

IUPACN-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CC(c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H19N3O2S/c1-13(24)14-5-4-6-16(9-14)21-19(25)12-23-10-15(11-23)20-22-17-7-2-3-8-18(17)26-20/h2-9,15H,10-12H2,1H3,(H,21,25)
InChIKeyNFYFFEBIJOPBDJ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.54
Rot. Bonds5

About N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide (PubChem CID 71854602) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide
PubChem CID71854602
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CC(c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H19N3O2S/c1-13(24)14-5-4-6-16(9-14)21-19(25)12-23-10-15(11-23)20-22-17-7-2-3-8-18(17)26-20/h2-9,15H,10-12H2,1H3,(H,21,25)
InChIKeyNFYFFEBIJOPBDJ-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide
CID 9337327
N-(4-acetylphenyl)-2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetamide
CID 9389184
3-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8679962
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9337529
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 9388719
methyl 3-[[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 51171318
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9377990
methyl 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoate
CID 29133366
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9389340
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 9389196
2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9388707

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide (CID 71854602) is N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CC(c3nc4ccccc4s3)C2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide?
The InChIKey is NFYFFEBIJOPBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13(24)14-5-4-6-16(9-14)21-19(25)12-23-10-15(11-23)20-22-17-7-2-3-8-18(17)26-20/h2-9,15H,10-12H2,1H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(1,3-benzothiazol-2-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 71854602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).