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

C19H13N3O2S — CID 118730256

IUPAC4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccco1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H13N3O2S/c23-18(22-20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)19-21-16-5-1-2-6-17(16)25-19/h1-12H,(H,22,23)/b20-12-
InChIKeyGYDZWBVPNZVEMH-NDENLUEZSA-N
MW347.40 g/mol
LogP4.32
Rot. Bonds4

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

4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide (PubChem CID 118730256) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
PubChem CID118730256
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1ccco1)c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C19H13N3O2S/c23-18(22-20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)19-21-16-5-1-2-6-17(16)25-19/h1-12H,(H,22,23)/b20-12-
InChIKeyGYDZWBVPNZVEMH-NDENLUEZSA-N
XLogP4.32
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.32
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

2-(1,3-Benzothiazol-2-ylthio)-N'-(2-furylmethylene)acetohydrazide
CID 7245203
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(5-methyl-2-furyl)methylene]acetohydrazide
CID 6884330
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-(1-naphthyl)acetohydrazide
CID 6877371
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 7407629
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-methoxyacetohydrazide
CID 9564959
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-cyanoacetohydrazide
CID 9565036
2-Furaldehyde 1,3-benzothiazol-2-ylhydrazone
CID 9566807
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-(2-methylphenoxy)acetohydrazide
CID 9618153
N'-{[5-(1,3-benzothiazol-2-ylsulfanyl)-2-furyl]methylene}-2-(1-naphthyloxy)acetohydrazide
CID 9775154
(E)-N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 1345068
N-({[3-(1,3-benzothiazol-2-yl)phenyl]amino}carbonothioyl)-3-(2-furyl)acrylamide
CID 5507531

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide (CID 118730256) is 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide is O=C(N/N=C\c1ccco1)c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide?
The InChIKey is GYDZWBVPNZVEMH-NDENLUEZSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18(22-20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)19-21-16-5-1-2-6-17(16)25-19/h1-12H,(H,22,23)/b20-12-.
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide?
4-(1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide has a molecular weight of 347.40 g/mol, XLogP of 4.32, 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)-furan-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 118730256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).