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

C16H12ClNOS2 — CID 122162030

IUPAC1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C16H12ClNOS2/c17-15-8-11-9-18(6-5-13(11)21-15)16(19)14-7-10-3-1-2-4-12(10)20-14/h1-4,7-8H,5-6,9H2
InChIKeyRWJNCCLASQQWNT-UHFFFAOYSA-N
MW333.87 g/mol
LogP4.81
Rot. Bonds1

About 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 122162030) has the molecular formula C16H12ClNOS2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID122162030
Molecular FormulaC16H12ClNOS2
Molecular Weight333.87 g/mol
Exact Mass333.00
IUPAC Name1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C16H12ClNOS2/c17-15-8-11-9-18(6-5-13(11)21-15)16(19)14-7-10-3-1-2-4-12(10)20-14/h1-4,7-8H,5-6,9H2
InChIKeyRWJNCCLASQQWNT-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-benzothiazol-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 122245114
3,4-dihydro-1H-isoquinolin-2-yl-(5-nitro-1-benzothiophen-2-yl)methanone
CID 5006569
1-benzothiophen-2-yl-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154488
1-benzothiophen-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
2-chloro-N-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 122162065
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
5-benzoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
CID 82369269
4-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 122162020
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 69201847
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
3-(benzenesulfonyl)-1-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 122162017

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 122162030) is 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(c1cc2ccccc2s1)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is RWJNCCLASQQWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS2/c17-15-8-11-9-18(6-5-13(11)21-15)16(19)14-7-10-3-1-2-4-12(10)20-14/h1-4,7-8H,5-6,9H2.
What are the key properties of 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 333.87 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-chloro-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 122162030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).