5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide

C14H12N2O2S — CID 47110700

IUPAC5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H12N2O2S/c1-16(2)14(17)11-8-7-10(18-11)13-15-9-5-3-4-6-12(9)19-13/h3-8H,1-2H3
InChIKeyKVBRDGKLVKJRBV-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.26
Rot. Bonds2

About 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide (PubChem CID 47110700) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
PubChem CID47110700
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C14H12N2O2S/c1-16(2)14(17)11-8-7-10(18-11)13-15-9-5-3-4-6-12(9)19-13/h3-8H,1-2H3
InChIKeyKVBRDGKLVKJRBV-UHFFFAOYSA-N
XLogP3.26
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
methyl 3-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]-methylamino]-2-methylpropanoate
CID 87017906
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-propan-2-ylfuran-2-carboxamide
CID 112794144
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)-3-phenylpropyl]furan-2-carboxamide
CID 55337342
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
methyl 6-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]hexanoate
CID 134014872
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
CID 46431780
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide (CID 47110700) is 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide is CN(C)C(=O)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide?
The InChIKey is KVBRDGKLVKJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-16(2)14(17)11-8-7-10(18-11)13-15-9-5-3-4-6-12(9)19-13/h3-8H,1-2H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide is sourced from PubChem (CID 47110700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).