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

C10H16N2S — CID 84667138

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine
SMILESCC(C)c1nc2c(s1)CCNCC2
InChIInChI=1S/C10H16N2S/c1-7(2)10-12-8-3-5-11-6-4-9(8)13-10/h7,11H,3-6H2,1-2H3
InChIKeyPPORZDGLDJGMQZ-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.95
Rot. Bonds1

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

2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine (PubChem CID 84667138) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine
PubChem CID84667138
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine
SMILESCC(C)c1nc2c(s1)CCNCC2
InChIInChI=1S/C10H16N2S/c1-7(2)10-12-8-3-5-11-6-4-9(8)13-10/h7,11H,3-6H2,1-2H3
InChIKeyPPORZDGLDJGMQZ-UHFFFAOYSA-N
XLogP1.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine (CID 84667138) is 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine is CC(C)c1nc2c(s1)CCNCC2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is PPORZDGLDJGMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)10-12-8-3-5-11-6-4-9(8)13-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine?
2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 196.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 84667138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).