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

C14H21N3OS — CID 624322

IUPAC7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2sc(N3CCCCC3)nc2C1
InChIInChI=1S/C14H21N3OS/c1-14(2)8-10-11(12(18)15-9-14)19-13(16-10)17-6-4-3-5-7-17/h3-9H2,1-2H3,(H,15,18)
InChIKeyQBJUOMSCUYZKDV-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.45
Rot. Bonds1

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

7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 624322) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID624322
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2sc(N3CCCCC3)nc2C1
InChIInChI=1S/C14H21N3OS/c1-14(2)8-10-11(12(18)15-9-14)19-13(16-10)17-6-4-3-5-7-17/h3-9H2,1-2H3,(H,15,18)
InChIKeyQBJUOMSCUYZKDV-UHFFFAOYSA-N
XLogP2.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one (CID 624322) is 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is CC1(C)CNC(=O)c2sc(N3CCCCC3)nc2C1.
What is the InChIKey of 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is QBJUOMSCUYZKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-14(2)8-10-11(12(18)15-9-14)19-13(16-10)17-6-4-3-5-7-17/h3-9H2,1-2H3,(H,15,18).
What are the key properties of 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one?
7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 279.41 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-piperidin-1-yl-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 624322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).