2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide

C25H18N4OS — CID 18858913

IUPAC2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C25H18N4OS/c30-24(28-29(18-10-3-1-4-11-18)19-12-5-2-6-13-19)20-14-9-17-26-23(20)25-27-21-15-7-8-16-22(21)31-25/h1-17H,(H,28,30)
InChIKeyOFDNVHQIXDLPOT-UHFFFAOYSA-N
MW422.51 g/mol
LogP5.84
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide

2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide (PubChem CID 18858913) has the molecular formula C25H18N4OS and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
PubChem CID18858913
Molecular FormulaC25H18N4OS
Molecular Weight422.51 g/mol
Exact Mass422.12
IUPAC Name2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C25H18N4OS/c30-24(28-29(18-10-3-1-4-11-18)19-12-5-2-6-13-19)20-14-9-17-26-23(20)25-27-21-15-7-8-16-22(21)31-25/h1-17H,(H,28,30)
InChIKeyOFDNVHQIXDLPOT-UHFFFAOYSA-N
XLogP5.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-benzyl-N-methylpyridine-3-carboxamide
CID 7708389
2-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 7693813
2-(1,3-benzothiazol-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18858870
2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide
CID 7631874
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
quinolin-8-yl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
CID 18858955
[2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 7679406
3-(1,3-benzothiazol-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]pyrazine-2-carboxamide
CID 24676182

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide (CID 18858913) is 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide is O=C(NN(c1ccccc1)c1ccccc1)c1cccnc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide?
The InChIKey is OFDNVHQIXDLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4OS/c30-24(28-29(18-10-3-1-4-11-18)19-12-5-2-6-13-19)20-14-9-17-26-23(20)25-27-21-15-7-8-16-22(21)31-25/h1-17H,(H,28,30).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide?
2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide has a molecular weight of 422.51 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N',N'-diphenylpyridine-3-carbohydrazide is sourced from PubChem (CID 18858913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).