4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide

C20H14N4OS — CID 118730249

IUPAC4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccn1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H14N4OS/c25-19(24-22-13-16-5-3-4-12-21-16)14-8-10-15(11-9-14)20-23-17-6-1-2-7-18(17)26-20/h1-13H,(H,24,25)/b22-13-
InChIKeyPCHBTLORUARFLX-XKZIYDEJSA-N
MW358.43 g/mol
LogP4.12
Rot. Bonds4

About 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide

4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 118730249) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID118730249
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccn1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H14N4OS/c25-19(24-22-13-16-5-3-4-12-21-16)14-8-10-15(11-9-14)20-23-17-6-1-2-7-18(17)26-20/h1-13H,(H,24,25)/b22-13-
InChIKeyPCHBTLORUARFLX-XKZIYDEJSA-N
XLogP4.12
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
4-(1,3-benzothiazol-2-yl)-N-[(E)-(3-hydroxy-2-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 118730275
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6877463
4-(phenylsulfanylmethyl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5412791
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063
2-(4-chlorophenyl)-N-(pyridin-2-ylmethylideneamino)quinoline-4-carboxamide
CID 1012448

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide (CID 118730249) is 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccccn1)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is PCHBTLORUARFLX-XKZIYDEJSA-N. The full InChI is InChI=1S/C20H14N4OS/c25-19(24-22-13-16-5-3-4-12-21-16)14-8-10-15(11-9-14)20-23-17-6-1-2-7-18(17)26-20/h1-13H,(H,24,25)/b22-13-.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide?
4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 358.43 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 118730249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).