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

C18H13Cl2NOS2 — CID 16576996

IUPAC(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C18H13Cl2NOS2/c19-13-4-1-3-12(16(13)20)18(22)21-8-6-14-11(7-10-24-14)17(21)15-5-2-9-23-15/h1-5,7,9-10,17H,6,8H2
InChIKeyFILYWVINSVVLON-UHFFFAOYSA-N
MW394.35 g/mol
LogP5.90
Rot. Bonds2

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

(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 16576996) has the molecular formula C18H13Cl2NOS2 and a molecular weight of 394.35 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID16576996
Molecular FormulaC18H13Cl2NOS2
Molecular Weight394.35 g/mol
Exact Mass392.98
IUPAC Name(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C18H13Cl2NOS2/c19-13-4-1-3-12(16(13)20)18(22)21-8-6-14-11(7-10-24-14)17(21)15-5-2-9-23-15/h1-5,7,9-10,17H,6,8H2
InChIKeyFILYWVINSVVLON-UHFFFAOYSA-N
XLogP5.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-nitrophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576989
[2-(difluoromethoxy)phenyl]-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 43036207
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(2-bromo-5-methoxyphenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16577027
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-quinolin-2-one
CID 55428430
2,3-dihydro-1,4-dioxin-5-yl-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 124606633
methyl 5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylate
CID 42942144
2-chloro-N'-[2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 78817586
[(4R)-4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(2-methylphenyl)methanone
CID 7225441

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 16576996) is (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1cccc(Cl)c1Cl)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is FILYWVINSVVLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NOS2/c19-13-4-1-3-12(16(13)20)18(22)21-8-6-14-11(7-10-24-14)17(21)15-5-2-9-23-15/h1-5,7,9-10,17H,6,8H2.
What are the key properties of (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 394.35 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 16576996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).