3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

C18H16N4O2S2 — CID 23830119

IUPAC3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3sc4nc(C)ccc4c3N)sc2c1
InChIInChI=1S/C18H16N4O2S2/c1-3-24-10-5-7-12-13(8-10)25-18(21-12)22-16(23)15-14(19)11-6-4-9(2)20-17(11)26-15/h4-8H,3,19H2,1-2H3,(H,21,22,23)
InChIKeyZUFFZSZEQQQVLC-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.45
Rot. Bonds4

About 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23830119) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23830119
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3sc4nc(C)ccc4c3N)sc2c1
InChIInChI=1S/C18H16N4O2S2/c1-3-24-10-5-7-12-13(8-10)25-18(21-12)22-16(23)15-14(19)11-6-4-9(2)20-17(11)26-15/h4-8H,3,19H2,1-2H3,(H,21,22,23)
InChIKeyZUFFZSZEQQQVLC-UHFFFAOYSA-N
XLogP4.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23970201
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1230786
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997986
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124163
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
3-amino-4-(2,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743001

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 23830119) is 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCOc1ccc2nc(NC(=O)c3sc4nc(C)ccc4c3N)sc2c1.
What is the InChIKey of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZUFFZSZEQQQVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-3-24-10-5-7-12-13(8-10)25-18(21-12)22-16(23)15-14(19)11-6-4-9(2)20-17(11)26-15/h4-8H,3,19H2,1-2H3,(H,21,22,23).
What are the key properties of 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23830119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).