3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide

C13H13N3OS2 — CID 106433595

IUPAC3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESC#CCSCCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H13N3OS2/c1-2-6-18-7-5-16-13(17)12-11(14)9-3-4-15-8-10(9)19-12/h1,3-4,8H,5-7,14H2,(H,16,17)
InChIKeyDTFMIJRLFCMXCC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.97
Rot. Bonds5

About 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106433595) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID106433595
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC Name3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESC#CCSCCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H13N3OS2/c1-2-6-18-7-5-16-13(17)12-11(14)9-3-4-15-8-10(9)19-12/h1,3-4,8H,5-7,14H2,(H,16,17)
InChIKeyDTFMIJRLFCMXCC-UHFFFAOYSA-N
XLogP1.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 106433595) is 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide is C#CCSCCNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is DTFMIJRLFCMXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-2-6-18-7-5-16-13(17)12-11(14)9-3-4-15-8-10(9)19-12/h1,3-4,8H,5-7,14H2,(H,16,17).
What are the key properties of 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106433595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).