2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C15H15ClN2OS2 — CID 79525560

IUPAC2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESNc1ccc(Cl)cc1SCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H15ClN2OS2/c16-11-1-2-12(17)14(7-11)21-9-15(19)18-5-3-13-10(8-18)4-6-20-13/h1-2,4,6-7H,3,5,8-9,17H2
InChIKeyRLERPPCROOCTCC-UHFFFAOYSA-N
MW338.89 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 79525560) has the molecular formula C15H15ClN2OS2 and a molecular weight of 338.89 g/mol. Its IUPAC name is 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID79525560
Molecular FormulaC15H15ClN2OS2
Molecular Weight338.89 g/mol
Exact Mass338.03
IUPAC Name2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESNc1ccc(Cl)cc1SCC(=O)N1CCc2sccc2C1
InChIInChI=1S/C15H15ClN2OS2/c16-11-1-2-12(17)14(7-11)21-9-15(19)18-5-3-13-10(8-18)4-6-20-13/h1-2,4,6-7H,3,5,8-9,17H2
InChIKeyRLERPPCROOCTCC-UHFFFAOYSA-N
XLogP3.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43302382
(2-amino-4-chlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16773852
2-(2,5-dichlorophenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2536495
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 30210498
(2,5-dichlorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24778011
2-(4-chloro-2-nitroanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285240
4-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)aniline
CID 115468438
2-(2-aminobutylsulfanyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 66229432
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-(4-aminophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone;hydrochloride
CID 119700080
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421
2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 43388490

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 79525560) is 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is Nc1ccc(Cl)cc1SCC(=O)N1CCc2sccc2C1.
What is the InChIKey of 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is RLERPPCROOCTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS2/c16-11-1-2-12(17)14(7-11)21-9-15(19)18-5-3-13-10(8-18)4-6-20-13/h1-2,4,6-7H,3,5,8-9,17H2.
What are the key properties of 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 338.89 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-chlorophenyl)sulfanyl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 79525560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).