2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine

C12H19N3S — CID 82663900

IUPAC2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine
SMILESc1c(C2CCNCC2)nc2n1CCCCS2
InChIInChI=1S/C12H19N3S/c1-2-8-16-12-14-11(9-15(12)7-1)10-3-5-13-6-4-10/h9-10,13H,1-8H2
InChIKeyDBLUJFFCVQQSGD-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.24
Rot. Bonds1

About 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine

2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine (PubChem CID 82663900) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine.

Molecular Properties

Compound Name2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine
PubChem CID82663900
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine
SMILESc1c(C2CCNCC2)nc2n1CCCCS2
InChIInChI=1S/C12H19N3S/c1-2-8-16-12-14-11(9-15(12)7-1)10-3-5-13-6-4-10/h9-10,13H,1-8H2
InChIKeyDBLUJFFCVQQSGD-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine?
The IUPAC name of 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine (CID 82663900) is 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine.
What is the SMILES notation for 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine?
The canonical SMILES for 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine is c1c(C2CCNCC2)nc2n1CCCCS2.
What is the InChIKey of 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine?
The InChIKey is DBLUJFFCVQQSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-8-16-12-14-11(9-15(12)7-1)10-3-5-13-6-4-10/h9-10,13H,1-8H2.
What are the key properties of 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine?
2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine has a molecular weight of 237.37 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]thiazepine is sourced from PubChem (CID 82663900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).