2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one

C12H17N3OS — CID 3427491

IUPAC2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESO=C1NCCCc2nc(N3CCCCC3)sc21
InChIInChI=1S/C12H17N3OS/c16-11-10-9(5-4-6-13-11)14-12(17-10)15-7-2-1-3-8-15/h1-8H2,(H,13,16)
InChIKeyMIIVMKQOJBRJCC-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.81
Rot. Bonds1

About 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one

2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 3427491) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID3427491
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESO=C1NCCCc2nc(N3CCCCC3)sc21
InChIInChI=1S/C12H17N3OS/c16-11-10-9(5-4-6-13-11)14-12(17-10)15-7-2-1-3-8-15/h1-8H2,(H,13,16)
InChIKeyMIIVMKQOJBRJCC-UHFFFAOYSA-N
XLogP1.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (CID 3427491) is 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is O=C1NCCCc2nc(N3CCCCC3)sc21.
What is the InChIKey of 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is MIIVMKQOJBRJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-11-10-9(5-4-6-13-11)14-12(17-10)15-7-2-1-3-8-15/h1-8H2,(H,13,16).
What are the key properties of 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 251.35 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 3427491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).