3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide

C13H15N3OS — CID 81052779

IUPAC3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
SMILESC=CCNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C13H15N3OS/c1-4-5-15-13(17)12-11(14)10-8(3)16-7(2)6-9(10)18-12/h4,6H,1,5,14H2,2-3H3,(H,15,17)
InChIKeyDALAEVRJCREHML-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.41
Rot. Bonds3

About 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81052779) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
PubChem CID81052779
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
SMILESC=CCNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C13H15N3OS/c1-4-5-15-13(17)12-11(14)10-8(3)16-7(2)6-9(10)18-12/h4,6H,1,5,14H2,2-3H3,(H,15,17)
InChIKeyDALAEVRJCREHML-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide (CID 81052779) is 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide is C=CCNC(=O)c1sc2cc(C)nc(C)c2c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is DALAEVRJCREHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-4-5-15-13(17)12-11(14)10-8(3)16-7(2)6-9(10)18-12/h4,6H,1,5,14H2,2-3H3,(H,15,17).
What are the key properties of 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81052779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).