N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide

C18H12N4O2S — CID 117074219

IUPACN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1nc2ccccc2s1
InChIInChI=1S/C18H12N4O2S/c23-16-14(9-12(10-20-16)11-5-7-19-8-6-11)21-17(24)18-22-13-3-1-2-4-15(13)25-18/h1-10H,(H,20,23)(H,21,24)
InChIKeyKLCODDCUNILQLY-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.30
Rot. Bonds3

About N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide

N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 117074219) has the molecular formula C18H12N4O2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID117074219
Molecular FormulaC18H12N4O2S
Molecular Weight348.39 g/mol
Exact Mass348.07
IUPAC NameN-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1nc2ccccc2s1
InChIInChI=1S/C18H12N4O2S/c23-16-14(9-12(10-20-16)11-5-7-19-8-6-11)21-17(24)18-22-13-3-1-2-4-15(13)25-18/h1-10H,(H,20,23)(H,21,24)
InChIKeyKLCODDCUNILQLY-UHFFFAOYSA-N
XLogP3.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide (CID 117074219) is N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is KLCODDCUNILQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2S/c23-16-14(9-12(10-20-16)11-5-7-19-8-6-11)21-17(24)18-22-13-3-1-2-4-15(13)25-18/h1-10H,(H,20,23)(H,21,24).
What are the key properties of N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide?
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 348.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 117074219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).