3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide

C15H19N3OS2 — CID 81038185

IUPAC3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)N(C)C3CCSC3)c(N)c2c(C)n1
InChIInChI=1S/C15H19N3OS2/c1-8-6-11-12(9(2)17-8)13(16)14(21-11)15(19)18(3)10-4-5-20-7-10/h6,10H,4-5,7,16H2,1-3H3
InChIKeyNAIYMWBLYFEJHO-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.07
Rot. Bonds2

About 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide

3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81038185) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81038185
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)N(C)C3CCSC3)c(N)c2c(C)n1
InChIInChI=1S/C15H19N3OS2/c1-8-6-11-12(9(2)17-8)13(16)14(21-11)15(19)18(3)10-4-5-20-7-10/h6,10H,4-5,7,16H2,1-3H3
InChIKeyNAIYMWBLYFEJHO-UHFFFAOYSA-N
XLogP3.07
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide (CID 81038185) is 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)N(C)C3CCSC3)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is NAIYMWBLYFEJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-8-6-11-12(9(2)17-8)13(16)14(21-11)15(19)18(3)10-4-5-20-7-10/h6,10H,4-5,7,16H2,1-3H3.
What are the key properties of 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide?
3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4,6-trimethyl-N-(thiolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81038185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).