2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide

C19H18N4O2S — CID 72904842

IUPAC2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C(=O)NC2CC(=O)N(c3ccccc3)C2)cc2sc(N)nc12
InChIInChI=1S/C19H18N4O2S/c1-11-7-12(8-15-17(11)22-19(20)26-15)18(25)21-13-9-16(24)23(10-13)14-5-3-2-4-6-14/h2-8,13H,9-10H2,1H3,(H2,20,22)(H,21,25)
InChIKeyUVPIIBXGIJLGMM-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.72
Rot. Bonds3

About 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide

2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 72904842) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID72904842
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C(=O)NC2CC(=O)N(c3ccccc3)C2)cc2sc(N)nc12
InChIInChI=1S/C19H18N4O2S/c1-11-7-12(8-15-17(11)22-19(20)26-15)18(25)21-13-9-16(24)23(10-13)14-5-3-2-4-6-14/h2-8,13H,9-10H2,1H3,(H2,20,22)(H,21,25)
InChIKeyUVPIIBXGIJLGMM-UHFFFAOYSA-N
XLogP2.72
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
4-methyl-3-nitro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 18573302
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-carboxamide
CID 7547797
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
4-methyl-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547112
5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96572585
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255005
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 7255002

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide (CID 72904842) is 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide is Cc1cc(C(=O)NC2CC(=O)N(c3ccccc3)C2)cc2sc(N)nc12.
What is the InChIKey of 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is UVPIIBXGIJLGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-11-7-12(8-15-17(11)22-19(20)26-15)18(25)21-13-9-16(24)23(10-13)14-5-3-2-4-6-14/h2-8,13H,9-10H2,1H3,(H2,20,22)(H,21,25).
What are the key properties of 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide?
2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 72904842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).