3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate

C19H12N3O3S- — CID 7243069

IUPAC3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESO=C([O-])c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c1
InChIInChI=1S/C19H13N3O3S/c23-18(24)13-5-3-4-12(10-13)16-9-8-14(25-16)11-20-22-19-21-15-6-1-2-7-17(15)26-19/h1-11H,(H,21,22)(H,23,24)/p-1/b20-11-
InChIKeyOWUDGUNBNDBXHA-JAIQZWGSSA-M
MW362.39 g/mol
LogP3.37
Rot. Bonds5

About 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate

3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate (PubChem CID 7243069) has the molecular formula C19H12N3O3S- and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Name3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
PubChem CID7243069
Molecular FormulaC19H12N3O3S-
Molecular Weight362.39 g/mol
Exact Mass362.06
IUPAC Name3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate
SMILESO=C([O-])c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c1
InChIInChI=1S/C19H13N3O3S/c23-18(24)13-5-3-4-12(10-13)16-9-8-14(25-16)11-20-22-19-21-15-6-1-2-7-17(15)26-19/h1-11H,(H,21,22)(H,23,24)/p-1/b20-11-
InChIKeyOWUDGUNBNDBXHA-JAIQZWGSSA-M
XLogP3.37
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-[5-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]-4-chlorobenzoic acid
CID 5092404
3-[5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 71747664
3-[5-[(E)-[(5-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 73350572
3-[5-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 7240982
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
CID 3123698
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
CID 73462772
2-[2-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7997533
2-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenoxy]acetate
CID 7457404
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 6196621
3-[5-[(Z)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 7263257

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate (CID 7243069) is 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate is O=C([O-])c1cccc(-c2ccc(/C=N\Nc3nc4ccccc4s3)o2)c1.
What is the InChIKey of 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
The InChIKey is OWUDGUNBNDBXHA-JAIQZWGSSA-M. The full InChI is InChI=1S/C19H13N3O3S/c23-18(24)13-5-3-4-12(10-13)16-9-8-14(25-16)11-20-22-19-21-15-6-1-2-7-17(15)26-19/h1-11H,(H,21,22)(H,23,24)/p-1/b20-11-.
What are the key properties of 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate?
3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 7243069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).