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

C15H19N3OS2 — CID 81036990

IUPAC3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCC3CCCS3)c(N)c2c(C)n1
InChIInChI=1S/C15H19N3OS2/c1-8-6-11-12(9(2)18-8)13(16)14(21-11)15(19)17-7-10-4-3-5-20-10/h6,10H,3-5,7,16H2,1-2H3,(H,17,19)
InChIKeyDVODEFMQRWPSAF-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.12
Rot. Bonds3

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

3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81036990) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81036990
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCC3CCCS3)c(N)c2c(C)n1
InChIInChI=1S/C15H19N3OS2/c1-8-6-11-12(9(2)18-8)13(16)14(21-11)15(19)17-7-10-4-3-5-20-10/h6,10H,3-5,7,16H2,1-2H3,(H,17,19)
InChIKeyDVODEFMQRWPSAF-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037438
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
CID 81052779
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-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052861
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-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012
3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81038201
3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052702
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81035171
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81037428

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide (CID 81036990) is 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)NCC3CCCS3)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DVODEFMQRWPSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-8-6-11-12(9(2)18-8)13(16)14(21-11)15(19)17-7-10-4-3-5-20-10/h6,10H,3-5,7,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.12, 3 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-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81036990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).