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

C18H19ClN2OS — CID 7494993

IUPAC1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c19-13-3-1-12(2-4-13)18-15-8-10-23-16(15)7-9-21(18)17(22)11-20-14-5-6-14/h1-4,8,10,14,18,20H,5-7,9,11H2/t18-/m1/s1
InChIKeyVWALDUQVXARAMK-GOSISDBHSA-N
MW346.88 g/mol
LogP3.63
Rot. Bonds4

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

1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone (PubChem CID 7494993) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone
PubChem CID7494993
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2OS/c19-13-3-1-12(2-4-13)18-15-8-10-23-16(15)7-9-21(18)17(22)11-20-14-5-6-14/h1-4,8,10,14,18,20H,5-7,9,11H2/t18-/m1/s1
InChIKeyVWALDUQVXARAMK-GOSISDBHSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylamino)-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7397531
2-chloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylpropanamide
CID 3448947
4-(4-chlorophenyl)-N-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 57325683
[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6976183
2-(tert-butylamino)-1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 811400
[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(hydroxymethyl)phenyl]methanone
CID 101064481
1-[2-[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3,3-dimethyl-1-propan-2-ylurea
CID 7238383
1-butan-2-yl-1-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-ethylurea
CID 3913997
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
N-butyl-N-[2-[(4S)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 7218723
2-(tert-butylamino)-1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 4222304
1-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(propylamino)ethanone
CID 7249091

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone?
The IUPAC name of 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone (CID 7494993) is 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone.
What is the SMILES notation for 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone?
The canonical SMILES for 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone is O=C(CNC1CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone?
The InChIKey is VWALDUQVXARAMK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c19-13-3-1-12(2-4-13)18-15-8-10-23-16(15)7-9-21(18)17(22)11-20-14-5-6-14/h1-4,8,10,14,18,20H,5-7,9,11H2/t18-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone?
1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone has a molecular weight of 346.88 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(cyclopropylamino)ethanone is sourced from PubChem (CID 7494993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).