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

C13H10N2O2S2 — CID 739344

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2O2S2/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,15,16)
InChIKeyNIONLXQYAZPYQD-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.62
Rot. Bonds3

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

N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 739344) has the molecular formula C13H10N2O2S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID739344
Molecular FormulaC13H10N2O2S2
Molecular Weight290.37 g/mol
Exact Mass290.02
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cccs3)sc2c1
InChIInChI=1S/C13H10N2O2S2/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,15,16)
InChIKeyNIONLXQYAZPYQD-UHFFFAOYSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-methoxybenzothiazole
CID 15630
Tioxidazole
CID 72157
Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-Benzothiazol-2-yl-3-(4-methoxy-phenyl)-urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
Butanamide, N-(6-ethoxy-2-benzothiazolyl)-3-oxo-
CID 96209
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

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 739344) is N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is COc1ccc2nc(NC(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is NIONLXQYAZPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S2/c1-17-8-4-5-9-11(7-8)19-13(14-9)15-12(16)10-3-2-6-18-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 3.62, 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)thiophene-2-carboxamide is sourced from PubChem (CID 739344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).