(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C12H9Cl2NOS2 — CID 42470295

IUPAC(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C12H9Cl2NOS2/c13-10-5-8(11(14)18-10)12(16)15-3-1-9-7(6-15)2-4-17-9/h2,4-5H,1,3,6H2
InChIKeyQSFOJQMBSOWWEQ-UHFFFAOYSA-N
MW318.25 g/mol
LogP4.31
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 42470295) has the molecular formula C12H9Cl2NOS2 and a molecular weight of 318.25 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID42470295
Molecular FormulaC12H9Cl2NOS2
Molecular Weight318.25 g/mol
Exact Mass316.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C12H9Cl2NOS2/c13-10-5-8(11(14)18-10)12(16)15-3-1-9-7(6-15)2-4-17-9/h2,4-5H,1,3,6H2
InChIKeyQSFOJQMBSOWWEQ-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
(2-amino-4-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16773852
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107963575
(2-amino-4,5-dimethoxyphenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16777631
(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107962407
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 106852353
(6-chloropyridazin-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 54927051
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
(2-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62648438
(5-amino-2-bromo-4-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 62831070
(5-chloro-1,3-dimethylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30455819

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 42470295) is (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1cc(Cl)sc1Cl)N1CCc2sccc2C1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is QSFOJQMBSOWWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NOS2/c13-10-5-8(11(14)18-10)12(16)15-3-1-9-7(6-15)2-4-17-9/h2,4-5H,1,3,6H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 318.25 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 42470295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).