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

C20H25N3OS — CID 40809097

IUPAC2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESC[C@H]1c2ccsc2CCN1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3OS/c1-16-18-8-14-25-19(18)7-9-23(16)15-20(24)22-12-10-21(11-13-22)17-5-3-2-4-6-17/h2-6,8,14,16H,7,9-13,15H2,1H3/t16-/m0/s1
InChIKeyQGFNENKRIGBNKX-INIZCTEOSA-N
MW355.51 g/mol
LogP3.02
Rot. Bonds3

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

2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 40809097) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID40809097
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESC[C@H]1c2ccsc2CCN1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3OS/c1-16-18-8-14-25-19(18)7-9-23(16)15-20(24)22-12-10-21(11-13-22)17-5-3-2-4-6-17/h2-6,8,14,16H,7,9-13,15H2,1H3/t16-/m0/s1
InChIKeyQGFNENKRIGBNKX-INIZCTEOSA-N
XLogP3.02
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 155944646
ethyl 2-(N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]anilino)acetate
CID 55445563
1-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]imidazolidin-2-one
CID 9000509
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(3-phenylpropyl)acetamide
CID 8999972
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
N-(2-cyanophenyl)-2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999750
2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-(2-phenylsulfanylacetyl)piperazin-1-yl]ethanone
CID 42873406
2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 40927608
2,2-dimethyl-1-[4-[2-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 93003636
3-cyclopentyl-1-[4-[2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 24719102
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 93003406

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 40809097) is 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone is C[C@H]1c2ccsc2CCN1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is QGFNENKRIGBNKX-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-16-18-8-14-25-19(18)7-9-23(16)15-20(24)22-12-10-21(11-13-22)17-5-3-2-4-6-17/h2-6,8,14,16H,7,9-13,15H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 355.51 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 40809097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).