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

C17H23N5OS — CID 95309838

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCc2sccc2C1
InChIInChI=1S/C17H23N5OS/c23-17(21-6-3-16-15(10-21)4-7-24-16)11-20-5-1-2-14(8-20)9-22-13-18-12-19-22/h4,7,12-14H,1-3,5-6,8-11H2/t14-/m0/s1
InChIKeyYZDRUNQJXBJCPB-AWEZNQCLSA-N
MW345.47 g/mol
LogP1.64
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 95309838) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID95309838
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCc2sccc2C1
InChIInChI=1S/C17H23N5OS/c23-17(21-6-3-16-15(10-21)4-7-24-16)11-20-5-1-2-14(8-20)9-22-13-18-12-19-22/h4,7,12-14H,1-3,5-6,8-11H2/t14-/m0/s1
InChIKeyYZDRUNQJXBJCPB-AWEZNQCLSA-N
XLogP1.64
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119914457
N-(2-thiophen-2-ylethyl)-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341631
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 95283759
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63872359
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119922344
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95316363
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 56781174
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95309263
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[3-(methylaminomethyl)piperidin-1-yl]butane-1,4-dione
CID 119397234
N-methyl-N-[(2-methylphenyl)methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95342401

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 95309838) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone is O=C(CN1CCC[C@H](Cn2cncn2)C1)N1CCc2sccc2C1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is YZDRUNQJXBJCPB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-17(21-6-3-16-15(10-21)4-7-24-16)11-20-5-1-2-14(8-20)9-22-13-18-12-19-22/h4,7,12-14H,1-3,5-6,8-11H2/t14-/m0/s1.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 345.47 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95309838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).