tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane

C16H29NO2S — CID 144594462

IUPACtert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C12H17NO2S.2C2H6/c1-12(2,3)15-11(14)13-6-4-9-5-7-16-10(9)8-13;2*1-2/h5,7H,4,6,8H2,1-3H3;2*1-2H3
InChIKeyCBCAQBJARXBDFF-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.09
Rot. Bonds

About tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane

tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane (PubChem CID 144594462) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
PubChem CID144594462
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Nametert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)N1CCc2ccsc2C1
InChIInChI=1S/C12H17NO2S.2C2H6/c1-12(2,3)15-11(14)13-6-4-9-5-7-16-10(9)8-13;2*1-2/h5,7H,4,6,8H2,1-3H3;2*1-2H3
InChIKeyCBCAQBJARXBDFF-UHFFFAOYSA-N
XLogP5.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane 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

tert-butyl 4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate
CID 141432076
tert-butyl 8-oxo-6,7-dihydro-4H-thieno[3,2-c]azepine-5-carboxylate
CID 71305794
tert-butyl 5-oxo-2,4-dihydro-1H-3-benzazepine-3-carboxylate
CID 178199983
tert-butyl 3-propan-2-ylidenepyrrolidine-1-carboxylate
CID 162764911
2,3-dihydroxypropyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686755
tert-butyl 2-ethenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 169082423
3-(4-methylpiperazin-1-yl)propyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 142686727
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887
tert-butyl 2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholine-4-carboxylate
CID 172906467
tert-butyl 7-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67006732
6-prop-1-en-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 70216021
ditert-butyl 5-oxo-8,9-dihydro-6H-thieno[3,2-c][2,7]naphthyridine-4,7-dicarboxylate
CID 165145542

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane?
The IUPAC name of tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane (CID 144594462) is tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane.
What is the SMILES notation for tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane?
The canonical SMILES for tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane is CC.CC.CC(C)(C)OC(=O)N1CCc2ccsc2C1.
What is the InChIKey of tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane?
The InChIKey is CBCAQBJARXBDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S.2C2H6/c1-12(2,3)15-11(14)13-6-4-9-5-7-16-10(9)8-13;2*1-2/h5,7H,4,6,8H2,1-3H3;2*1-2H3.
What are the key properties of tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane?
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane has a molecular weight of 299.48 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane is sourced from PubChem (CID 144594462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).