N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

C15H14N2O3S — CID 831650

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1
InChIInChI=1S/C15H14N2O3S/c1-8-6-11(9(2)20-8)14(18)17-15-16-12-5-4-10(19-3)7-13(12)21-15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyNROLNUQBIBNEAE-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.77
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 831650) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID831650
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1
InChIInChI=1S/C15H14N2O3S/c1-8-6-11(9(2)20-8)14(18)17-15-16-12-5-4-10(19-3)7-13(12)21-15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyNROLNUQBIBNEAE-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 831650) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide is COc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NROLNUQBIBNEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-6-11(9(2)20-8)14(18)17-15-16-12-5-4-10(19-3)7-13(12)21-15/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 831650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).