2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide

C16H9N5O3S2 — CID 18858870

IUPAC2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C16H9N5O3S2/c22-14(20-16-18-8-12(26-16)21(23)24)9-4-3-7-17-13(9)15-19-10-5-1-2-6-11(10)25-15/h1-8H,(H,18,20,22)
InChIKeyILKKTGWJPALNQG-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.98
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide

2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 18858870) has the molecular formula C16H9N5O3S2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID18858870
Molecular FormulaC16H9N5O3S2
Molecular Weight383.41 g/mol
Exact Mass383.01
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C16H9N5O3S2/c22-14(20-16-18-8-12(26-16)21(23)24)9-4-3-7-17-13(9)15-19-10-5-1-2-6-11(10)25-15/h1-8H,(H,18,20,22)
InChIKeyILKKTGWJPALNQG-UHFFFAOYSA-N
XLogP3.98
TPSA110.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858969
2-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 18858868
2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 18858890
2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
CID 18858913
2-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 7693813
2-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858869
2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858904
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
N-(5-nitro-1,3-thiazol-2-yl)-2,2-diphenylacetamide
CID 4598640
2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105380941
N-(5-nitro-1,3-thiazol-2-yl)-2-propylsulfanylbenzamide
CID 17310438
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 18858870) is 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1cccnc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is ILKKTGWJPALNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5O3S2/c22-14(20-16-18-8-12(26-16)21(23)24)9-4-3-7-17-13(9)15-19-10-5-1-2-6-11(10)25-15/h1-8H,(H,18,20,22).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 18858870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).