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

C16H17ClN2OS — CID 43388490

IUPAC2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCc1ccc(NCC(=O)N2CCc3sccc3C2)cc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11-2-3-13(8-14(11)17)18-9-16(20)19-6-4-15-12(10-19)5-7-21-15/h2-3,5,7-8,18H,4,6,9-10H2,1H3
InChIKeyGEJBPSHPLQBFLL-UHFFFAOYSA-N
MW320.85 g/mol
LogP3.71
Rot. Bonds3

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

2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 43388490) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID43388490
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCc1ccc(NCC(=O)N2CCc3sccc3C2)cc1Cl
InChIInChI=1S/C16H17ClN2OS/c1-11-2-3-13(8-14(11)17)18-9-16(20)19-6-4-15-12(10-19)5-7-21-15/h2-3,5,7-8,18H,4,6,9-10H2,1H3
InChIKeyGEJBPSHPLQBFLL-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone with MolForge

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Related Compounds

2-[(2-chloro-4-pyridinyl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133360999
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,5-dimethylanilino)ethanone
CID 37201756
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-ethylanilino)ethanone
CID 43388508
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
CID 86915821
2-(2-bromo-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253834
2-(2-chloro-4-nitroanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285238
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234
2-(4-chloro-2-nitroanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285240
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methoxypropylamino)ethanone
CID 43388492

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 43388490) is 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is Cc1ccc(NCC(=O)N2CCc3sccc3C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is GEJBPSHPLQBFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-11-2-3-13(8-14(11)17)18-9-16(20)19-6-4-15-12(10-19)5-7-21-15/h2-3,5,7-8,18H,4,6,9-10H2,1H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 320.85 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 43388490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).