5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide

C21H19N3O2S — CID 46431780

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H19N3O2S/c1-24(2)13-14-7-3-4-8-15(14)22-20(25)17-11-12-18(26-17)21-23-16-9-5-6-10-19(16)27-21/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyNYKOKWUSFMBOPQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.87
Rot. Bonds5

About 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide (PubChem CID 46431780) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
PubChem CID46431780
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H19N3O2S/c1-24(2)13-14-7-3-4-8-15(14)22-20(25)17-11-12-18(26-17)21-23-16-9-5-6-10-19(16)27-21/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyNYKOKWUSFMBOPQ-UHFFFAOYSA-N
XLogP4.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
5-(1,3-benzothiazol-2-yl)-N-(2-methyl-3-nitrophenyl)furan-2-carboxamide
CID 9083698
5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9077612
N-[2-[(dimethylamino)methyl]phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 31969106
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 60517836
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
methyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 71886107
N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 55531872
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide (CID 46431780) is 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide is CN(C)Cc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide?
The InChIKey is NYKOKWUSFMBOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-24(2)13-14-7-3-4-8-15(14)22-20(25)17-11-12-18(26-17)21-23-16-9-5-6-10-19(16)27-21/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46431780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).