[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C16H19N5OS — CID 121190225

IUPAC[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(N1CCc2sccc2C1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H19N5OS/c22-16(19-5-3-15-12(7-19)4-6-23-15)20-8-13(9-20)21-10-14(17-18-21)11-1-2-11/h4,6,10-11,13H,1-3,5,7-9H2
InChIKeyCEZFSEBYXVCPTO-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.25
Rot. Bonds2

About [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 121190225) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID121190225
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESO=C(N1CCc2sccc2C1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C16H19N5OS/c22-16(19-5-3-15-12(7-19)4-6-23-15)20-8-13(9-20)21-10-14(17-18-21)11-1-2-11/h4,6,10-11,13H,1-3,5,7-9H2
InChIKeyCEZFSEBYXVCPTO-UHFFFAOYSA-N
XLogP2.25
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 121190225) is [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is O=C(N1CCc2sccc2C1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is CEZFSEBYXVCPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-16(19-5-3-15-12(7-19)4-6-23-15)20-8-13(9-20)21-10-14(17-18-21)11-1-2-11/h4,6,10-11,13H,1-3,5,7-9H2.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 329.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 121190225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).