N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H11N3O3S — CID 43548233

IUPACN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1cc(N)cc2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C13H11N3O3S/c1-18-9-5-7(14)6-10-11(9)15-13(20-10)16-12(17)8-3-2-4-19-8/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyUMABNJWCQHVSKG-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.73
Rot. Bonds3

About N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 43548233) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID43548233
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1cc(N)cc2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C13H11N3O3S/c1-18-9-5-7(14)6-10-11(9)15-13(20-10)16-12(17)8-3-2-4-19-8/h2-6H,14H2,1H3,(H,15,16,17)
InChIKeyUMABNJWCQHVSKG-UHFFFAOYSA-N
XLogP2.73
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(6-amino-4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 1160312
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953269
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)pyridazine-4-carboxamide
CID 104669149
1-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 43551282
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N'-(4-methoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953094
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949179
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-propan-2-yloxyacetamide
CID 115949180
methyl 2-[5-amino-2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 82342602
N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)furan-2-carboxamide
CID 3641742

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 43548233) is N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is COc1cc(N)cc2sc(NC(=O)c3ccco3)nc12.
What is the InChIKey of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is UMABNJWCQHVSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-18-9-5-7(14)6-10-11(9)15-13(20-10)16-12(17)8-3-2-4-19-8/h2-6H,14H2,1H3,(H,15,16,17).
What are the key properties of N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 43548233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).