3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide

C15H21N3OS2 — CID 81038201

IUPAC3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCSCC(C)CNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C15H21N3OS2/c1-8(7-20-4)6-17-15(19)14-13(16)12-10(3)18-9(2)5-11(12)21-14/h5,8H,6-7,16H2,1-4H3,(H,17,19)
InChIKeyTYUOCDLFBWYODL-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.22
Rot. Bonds5

About 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81038201) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81038201
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCSCC(C)CNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C15H21N3OS2/c1-8(7-20-4)6-17-15(19)14-13(16)12-10(3)18-9(2)5-11(12)21-14/h5,8H,6-7,16H2,1-4H3,(H,17,19)
InChIKeyTYUOCDLFBWYODL-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052861
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
CID 81052779
3-amino-4,6-dimethyl-N-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012
3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053330
2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83206282
3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 107323848
3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037438
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 106174323
3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81036990
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81037428
3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide
CID 81036761
3-amino-N,4,6-trimethyl-N-[2-(methylamino)ethyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053407

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide (CID 81038201) is 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide is CSCC(C)CNC(=O)c1sc2cc(C)nc(C)c2c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is TYUOCDLFBWYODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-8(7-20-4)6-17-15(19)14-13(16)12-10(3)18-9(2)5-11(12)21-14/h5,8H,6-7,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 323.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81038201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).