N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide

C21H17N3O3S — CID 7543637

IUPACN-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCOc1ccc2nc(N(/N=C\c3ccco3)C(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C21H17N3O3S/c1-14-5-7-15(8-6-14)20(25)24(22-13-17-4-3-11-27-17)21-23-18-10-9-16(26-2)12-19(18)28-21/h3-13H,1-2H3/b22-13-
InChIKeyAZCHFHYQRFAPCQ-XKZIYDEJSA-N
MW391.45 g/mol
LogP4.89
Rot. Bonds5

About N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide

N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide (PubChem CID 7543637) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
PubChem CID7543637
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
SMILESCOc1ccc2nc(N(/N=C\c3ccco3)C(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C21H17N3O3S/c1-14-5-7-15(8-6-14)20(25)24(22-13-17-4-3-11-27-17)21-23-18-10-9-16(26-2)12-19(18)28-21/h3-13H,1-2H3/b22-13-
InChIKeyAZCHFHYQRFAPCQ-XKZIYDEJSA-N
XLogP4.89
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-chloro-N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7543643
3-fluoro-N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7543649
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 44945936
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-3,5-dimethoxybenzamide
CID 44943073
N-[(Z)-furan-2-ylmethylideneamino]-2,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8609208
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 44945392
N-[(E)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 44944340
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 44945294
N-[(E)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 44944323
(E)-3-(2-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 44945527
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 44945943
N-[(E)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 44945530

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide (CID 7543637) is N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide is COc1ccc2nc(N(/N=C\c3ccco3)C(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
The InChIKey is AZCHFHYQRFAPCQ-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14-5-7-15(8-6-14)20(25)24(22-13-17-4-3-11-27-17)21-23-18-10-9-16(26-2)12-19(18)28-21/h3-13H,1-2H3/b22-13-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide?
N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7543637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).