N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide

C13H14N2OS — CID 67246253

IUPACN,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide
SMILESCC(=Cc1cc2cnccc2s1)C(=O)N(C)C
InChIInChI=1S/C13H14N2OS/c1-9(13(16)15(2)3)6-11-7-10-8-14-5-4-12(10)17-11/h4-8H,1-3H3
InChIKeySCBGWNWLSFKFJN-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.79
Rot. Bonds2

About N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide

N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide (PubChem CID 67246253) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide
PubChem CID67246253
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide
SMILESCC(=Cc1cc2cnccc2s1)C(=O)N(C)C
InChIInChI=1S/C13H14N2OS/c1-9(13(16)15(2)3)6-11-7-10-8-14-5-4-12(10)17-11/h4-8H,1-3H3
InChIKeySCBGWNWLSFKFJN-UHFFFAOYSA-N
XLogP2.79
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thieno[3,2-c]pyridin-2-yl acetate
CID 144516714
thieno[3,2-c]pyridin-2-ylboronic acid
CID 55265943
ethane;2-methylthieno[3,2-c]pyridine
CID 144655773
1-thieno[3,2-c]pyridin-2-ylethanol
CID 67304944
2-ethylthieno[3,2-c]pyridine
CID 70413721
2-(4-methylphenyl)thieno[3,2-c]pyridine
CID 59130313
N-methyl-1-thieno[3,2-c]pyridin-2-ylmethanamine
CID 45117642
S-isoquinolin-7-yl ethanethioate
CID 86187057
S-isoquinolin-6-yl ethanethioate
CID 86187053
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562
acetic acid;isoquinoline
CID 66713221

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide?
The IUPAC name of N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide (CID 67246253) is N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide.
What is the SMILES notation for N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide?
The canonical SMILES for N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide is CC(=Cc1cc2cnccc2s1)C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide?
The InChIKey is SCBGWNWLSFKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(13(16)15(2)3)6-11-7-10-8-14-5-4-12(10)17-11/h4-8H,1-3H3.
What are the key properties of N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide?
N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide has a molecular weight of 246.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-thieno[3,2-c]pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 67246253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).