3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide

C13H17N3OS2 — CID 112666890

IUPAC3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1sc2ncccc2c1N
InChIInChI=1S/C13H17N3OS2/c1-8(7-18-3)16(2)13(17)11-10(14)9-5-4-6-15-12(9)19-11/h4-6,8H,7,14H2,1-3H3
InChIKeySZVHTKUACPQLQP-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 112666890) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID112666890
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)c1sc2ncccc2c1N
InChIInChI=1S/C13H17N3OS2/c1-8(7-18-3)16(2)13(17)11-10(14)9-5-4-6-15-12(9)19-11/h4-6,8H,7,14H2,1-3H3
InChIKeySZVHTKUACPQLQP-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 112666890) is 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is CSCC(C)N(C)C(=O)c1sc2ncccc2c1N.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SZVHTKUACPQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-8(7-18-3)16(2)13(17)11-10(14)9-5-4-6-15-12(9)19-11/h4-6,8H,7,14H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 112666890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).