N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

C18H14ClN3O2S — CID 75218835

IUPACN-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-11-5-7-12(8-6-11)22-14(9-10-16(22)23)17(24)21-18-20-13-3-1-2-4-15(13)25-18/h1-8,14H,9-10H2,(H,20,21,24)
InChIKeyDGFBLQPAAMMIGP-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.08
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 75218835) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID75218835
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-11-5-7-12(8-6-11)22-14(9-10-16(22)23)17(24)21-18-20-13-3-1-2-4-15(13)25-18/h1-8,14H,9-10H2,(H,20,21,24)
InChIKeyDGFBLQPAAMMIGP-UHFFFAOYSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
(2S)-N-(6-chloro-1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 46844006
N-(1,3-benzothiazol-2-yl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955809
(3S)-N-(1,3-benzothiazol-2-yl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 95368623
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorobenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945484
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-2-[[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]acetamide
CID 25140448
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(1,3-benzothiazol-2-yl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225028
(3R)-N-(1,3-benzothiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1088299
N-(1,3-benzothiazol-2-yl)-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 15998666
tert-butyl 2-(1,3-benzothiazol-2-ylcarbamoyl)azetidine-1-carboxylate
CID 91536144

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 75218835) is N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is O=C(Nc1nc2ccccc2s1)C1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DGFBLQPAAMMIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-11-5-7-12(8-6-11)22-14(9-10-16(22)23)17(24)21-18-20-13-3-1-2-4-15(13)25-18/h1-8,14H,9-10H2,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.08, 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)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 75218835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).