6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

C16H25N3S — CID 59755884

IUPAC6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESC1CC(N2CCc3nc(C4CCNCC4)sc3CC2)C1
InChIInChI=1S/C16H25N3S/c1-2-13(3-1)19-10-6-14-15(7-11-19)20-16(18-14)12-4-8-17-9-5-12/h12-13,17H,1-11H2
InChIKeyVFHJFPGGWIXTMI-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.56
Rot. Bonds2

About 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine

6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (PubChem CID 59755884) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
PubChem CID59755884
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESC1CC(N2CCc3nc(C4CCNCC4)sc3CC2)C1
InChIInChI=1S/C16H25N3S/c1-2-13(3-1)19-10-6-14-15(7-11-19)20-16(18-14)12-4-8-17-9-5-12/h12-13,17H,1-11H2
InChIKeyVFHJFPGGWIXTMI-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (CID 59755884) is 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is C1CC(N2CCc3nc(C4CCNCC4)sc3CC2)C1.
What is the InChIKey of 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is VFHJFPGGWIXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-2-13(3-1)19-10-6-14-15(7-11-19)20-16(18-14)12-4-8-17-9-5-12/h12-13,17H,1-11H2.
What are the key properties of 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 291.46 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 59755884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).