N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C22H17N5O2S — CID 9121360

IUPACN-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C22H17N5O2S/c1-14-24-16-6-2-4-8-18(16)27(14)13-21(28)26-23-12-15-10-11-19(29-15)22-25-17-7-3-5-9-20(17)30-22/h2-12H,13H2,1H3,(H,26,28)/b23-12-
InChIKeyGFFVHBSUOXGCIH-FMCGGJTJSA-N
MW415.48 g/mol
LogP4.36
Rot. Bonds5

About N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 9121360) has the molecular formula C22H17N5O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID9121360
Molecular FormulaC22H17N5O2S
Molecular Weight415.48 g/mol
Exact Mass415.11
IUPAC NameN-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C22H17N5O2S/c1-14-24-16-6-2-4-8-18(16)27(14)13-21(28)26-23-12-15-10-11-19(29-15)22-25-17-7-3-5-9-20(17)30-22/h2-12H,13H2,1H3,(H,26,28)/b23-12-
InChIKeyGFFVHBSUOXGCIH-FMCGGJTJSA-N
XLogP4.36
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.36
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

N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
CID 112767789
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-3,4-dimethoxybenzamide
CID 9232631
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]acetamide
CID 9121478
N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-4-nitrobenzamide
CID 9014926
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-phenylfuran-2-yl)methylideneamino]acetamide
CID 4709951
1-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 9410258

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 9121360) is N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is GFFVHBSUOXGCIH-FMCGGJTJSA-N. The full InChI is InChI=1S/C22H17N5O2S/c1-14-24-16-6-2-4-8-18(16)27(14)13-21(28)26-23-12-15-10-11-19(29-15)22-25-17-7-3-5-9-20(17)30-22/h2-12H,13H2,1H3,(H,26,28)/b23-12-.
What are the key properties of N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 415.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 9121360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).