N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

C21H17N3O2S — CID 7543571

IUPACN-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCc1ccc2nc(N(/N=C\c3ccco3)C(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C21H17N3O2S/c1-15-9-10-18-19(12-15)27-21(23-18)24(22-14-17-8-5-11-26-17)20(25)13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3/b22-14-
InChIKeyPHWUBUQLYUKVJQ-HMAPJEAMSA-N
MW375.45 g/mol
LogP4.81
Rot. Bonds5

About N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 7543571) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID7543571
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCc1ccc2nc(N(/N=C\c3ccco3)C(=O)Cc3ccccc3)sc2c1
InChIInChI=1S/C21H17N3O2S/c1-15-9-10-18-19(12-15)27-21(23-18)24(22-14-17-8-5-11-26-17)20(25)13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3/b22-14-
InChIKeyPHWUBUQLYUKVJQ-HMAPJEAMSA-N
XLogP4.81
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
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

N-[(Z)-furan-2-ylmethylideneamino]-2,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8609208
N-[(E)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 44944340
N-[(E)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 44944323
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 7543438
N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7543637
3-(benzenesulfonyl)-N-[(E)-benzylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 44943986
(E)-3-(2-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 44945527
4-chloro-N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7543643
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-3,5-dimethoxybenzamide
CID 44943073
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-3-(trifluoromethyl)benzamide
CID 44943088
4-benzyl-N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 44944147
3-fluoro-N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7543649

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 7543571) is N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide is Cc1ccc2nc(N(/N=C\c3ccco3)C(=O)Cc3ccccc3)sc2c1.
What is the InChIKey of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is PHWUBUQLYUKVJQ-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-15-9-10-18-19(12-15)27-21(23-18)24(22-14-17-8-5-11-26-17)20(25)13-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3/b22-14-.
What are the key properties of N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 375.45 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 7543571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).