N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide

C20H19N3O2S — CID 92627494

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CC[C@H]1CCC(=O)N1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C20H19N3O2S/c24-18-10-8-14(21-18)9-11-19(25)22-15-5-3-4-13(12-15)20-23-16-6-1-2-7-17(16)26-20/h1-7,12,14H,8-11H2,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyQOSHXTCOZOCSBY-CQSZACIVSA-N
MW365.46 g/mol
LogP3.96
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 92627494) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
PubChem CID92627494
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
SMILESO=C(CC[C@H]1CCC(=O)N1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C20H19N3O2S/c24-18-10-8-14(21-18)9-11-19(25)22-15-5-3-4-13(12-15)20-23-16-6-1-2-7-17(16)26-20/h1-7,12,14H,8-11H2,(H,21,24)(H,22,25)/t14-/m1/s1
InChIKeyQOSHXTCOZOCSBY-CQSZACIVSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 32983881
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 8610050
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 16799530
4-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]butanamide
CID 18585740
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 134039425
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 34288911
3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600172

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide (CID 92627494) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide is O=C(CC[C@H]1CCC(=O)N1)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is QOSHXTCOZOCSBY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-18-10-8-14(21-18)9-11-19(25)22-15-5-3-4-13(12-15)20-23-16-6-1-2-7-17(16)26-20/h1-7,12,14H,8-11H2,(H,21,24)(H,22,25)/t14-/m1/s1.
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 365.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 92627494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).