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

C13H11N3O2S2 — CID 91680626

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)cc2sc(N)nc12
InChIInChI=1S/C13H11N3O2S2/c1-18-8-5-7(6-10-11(8)16-13(14)20-10)15-12(17)9-3-2-4-19-9/h2-6H,1H3,(H2,14,16)(H,15,17)
InChIKeyOFWCDLQBJQIRJF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.20
Rot. Bonds3

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

N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (PubChem CID 91680626) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
PubChem CID91680626
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)cc2sc(N)nc12
InChIInChI=1S/C13H11N3O2S2/c1-18-8-5-7(6-10-11(8)16-13(14)20-10)15-12(17)9-3-2-4-19-9/h2-6H,1H3,(H2,14,16)(H,15,17)
InChIKeyOFWCDLQBJQIRJF-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide (CID 91680626) is N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is COc1cc(NC(=O)c2cccs2)cc2sc(N)nc12.
What is the InChIKey of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
The InChIKey is OFWCDLQBJQIRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-18-8-5-7(6-10-11(8)16-13(14)20-10)15-12(17)9-3-2-4-19-9/h2-6H,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide?
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 91680626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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