5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C14H16N4S — CID 138988858

IUPAC5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cnc(N2CC(N3CCc4sccc4C3)C2)nc1
InChIInChI=1S/C14H16N4S/c1-4-15-14(16-5-1)18-9-12(10-18)17-6-2-13-11(8-17)3-7-19-13/h1,3-5,7,12H,2,6,8-10H2
InChIKeyWBKANXVHYPPDDZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.78
Rot. Bonds2

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

5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 138988858) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID138988858
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cnc(N2CC(N3CCc4sccc4C3)C2)nc1
InChIInChI=1S/C14H16N4S/c1-4-15-14(16-5-1)18-9-12(10-18)17-6-2-13-11(8-17)3-7-19-13/h1,3-5,7,12H,2,6,8-10H2
InChIKeyWBKANXVHYPPDDZ-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121154408
5-(1-thiophen-2-ylsulfonylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 121154557
5-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 138989017
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121154228
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentan-1-one
CID 79642921
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
(3-chlorophenyl)-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154441
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121154415
cis-(1S,2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclohexan-1-ol
CID 129365586
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
CID 121017174

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 138988858) is 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1cnc(N2CC(N3CCc4sccc4C3)C2)nc1.
What is the InChIKey of 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is WBKANXVHYPPDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-4-15-14(16-5-1)18-9-12(10-18)17-6-2-13-11(8-17)3-7-19-13/h1,3-5,7,12H,2,6,8-10H2.
What are the key properties of 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 272.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrimidin-2-ylazetidin-3-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 138988858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).