5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

C20H23N5S — CID 56860748

IUPAC5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ncn(-c2ccc(N3CCC(N4CCc5sccc5C4)CC3)cc2)n1
InChIInChI=1S/C20H23N5S/c1-3-19(25-15-21-14-22-25)4-2-17(1)23-9-5-18(6-10-23)24-11-7-20-16(13-24)8-12-26-20/h1-4,8,12,14-15,18H,5-7,9-11,13H2
InChIKeyIKNWAMRSKLREMY-UHFFFAOYSA-N
MW365.51 g/mol
LogP3.36
Rot. Bonds3

About 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 56860748) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID56860748
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1ncn(-c2ccc(N3CCC(N4CCc5sccc5C4)CC3)cc2)n1
InChIInChI=1S/C20H23N5S/c1-3-19(25-15-21-14-22-25)4-2-17(1)23-9-5-18(6-10-23)24-11-7-20-16(13-24)8-12-26-20/h1-4,8,12,14-15,18H,5-7,9-11,13H2
InChIKeyIKNWAMRSKLREMY-UHFFFAOYSA-N
XLogP3.36
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[4-(1,2,4-triazol-1-yl)phenyl]piperazine
CID 141429794
1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 91625159
5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 138989017
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 79642921
5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 138988858
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121154228
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 32691507
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)oxolan-2-one
CID 42941023
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121154415
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121017174
1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 121154421
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
CID 43530847

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 56860748) is 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1ncn(-c2ccc(N3CCC(N4CCc5sccc5C4)CC3)cc2)n1.
What is the InChIKey of 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is IKNWAMRSKLREMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-3-19(25-15-21-14-22-25)4-2-17(1)23-9-5-18(6-10-23)24-11-7-20-16(13-24)8-12-26-20/h1-4,8,12,14-15,18H,5-7,9-11,13H2.
What are the key properties of 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 365.51 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 56860748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).