N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H15N3O2S — CID 3155576

IUPACN-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H15N3O2S/c22-16-10-12(11-21(16)13-6-2-1-3-7-13)17(23)20-18-19-14-8-4-5-9-15(14)24-18/h1-9,12H,10-11H2,(H,19,20,23)
InChIKeyPJEQJCCYNNMGNN-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.29
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 3155576) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID3155576
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H15N3O2S/c22-16-10-12(11-21(16)13-6-2-1-3-7-13)17(23)20-18-19-14-8-4-5-9-15(14)24-18/h1-9,12H,10-11H2,(H,19,20,23)
InChIKeyPJEQJCCYNNMGNN-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-2-Benzothiazolylbenzeneacetamide
CID 591403
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
2-(Acetoacetamido)benzothiazole
CID 20820
N-2-Benzothiazolyl-N'-butylurea
CID 99178
(2S)-1-[2-({3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxopropyl}amino)acetyl]pyrrolidine-2-carbonitrile
CID 11704578
[(2S,4S)-4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66559377
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250
N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
3-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2936391
Acetamide, N-2-benzothiazolyl-
CID 350459
N-[amino(1,3-benzothiazol-2-ylamino)methylene]-3-methylbutanamide
CID 9551574
1-(1,3-Benzothiazol-2-yl)-3-cyclohexylurea
CID 762207

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 3155576) is N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is PJEQJCCYNNMGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-16-10-12(11-21(16)13-6-2-1-3-7-13)17(23)20-18-19-14-8-4-5-9-15(14)24-18/h1-9,12H,10-11H2,(H,19,20,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3155576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).