N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C24H20N4O2S — CID 112799463

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H20N4O2S/c29-22-6-3-13-28(22)15-16-7-9-17(10-8-16)23(30)27-21-12-11-18(14-25-21)24-26-19-4-1-2-5-20(19)31-24/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,25,27,30)
InChIKeyXDRZAGYLXTXNFA-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.73
Rot. Bonds5

About N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 112799463) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID112799463
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C24H20N4O2S/c29-22-6-3-13-28(22)15-16-7-9-17(10-8-16)23(30)27-21-12-11-18(14-25-21)24-26-19-4-1-2-5-20(19)31-24/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,25,27,30)
InChIKeyXDRZAGYLXTXNFA-UHFFFAOYSA-N
XLogP4.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 112806736
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-fluorobenzamide
CID 112772428
N-(1,3-benzothiazol-2-yl)-N-methyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55510158
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51198051
1-[[4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 17392059
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
(3R)-1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94068392
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-5-bromo-2-chlorobenzamide
CID 112772424
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
CID 112772419
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-nitrobenzamide
CID 112771297
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2,3,4,5-tetrafluorobenzamide
CID 112772707
5-(2-aminopropan-2-yl)-N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-1H-pyrazole-3-carboxamide
CID 166362097

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 112799463) is N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cn1)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is XDRZAGYLXTXNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c29-22-6-3-13-28(22)15-16-7-9-17(10-8-16)23(30)27-21-12-11-18(14-25-21)24-26-19-4-1-2-5-20(19)31-24/h1-2,4-5,7-12,14H,3,6,13,15H2,(H,25,27,30).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 428.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 112799463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).