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

C11H18N2S — CID 20672123

IUPAC2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCc1nc2c(s1)CC(C)N(C)C(C)C2
InChIInChI=1S/C11H18N2S/c1-7-5-10-11(14-9(3)12-10)6-8(2)13(7)4/h7-8H,5-6H2,1-4H3
InChIKeyJCMRUTZMDAJPQY-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.26
Rot. Bonds

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

2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (PubChem CID 20672123) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.

Molecular Properties

Compound Name2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
PubChem CID20672123
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
SMILESCc1nc2c(s1)CC(C)N(C)C(C)C2
InChIInChI=1S/C11H18N2S/c1-7-5-10-11(14-9(3)12-10)6-8(2)13(7)4/h7-8H,5-6H2,1-4H3
InChIKeyJCMRUTZMDAJPQY-UHFFFAOYSA-N
XLogP2.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The IUPAC name of 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine (CID 20672123) is 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine.
What is the SMILES notation for 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The canonical SMILES for 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is Cc1nc2c(s1)CC(C)N(C)C(C)C2.
What is the InChIKey of 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
The InChIKey is JCMRUTZMDAJPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-7-5-10-11(14-9(3)12-10)6-8(2)13(7)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine?
2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine has a molecular weight of 210.35 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,7-tetramethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine is sourced from PubChem (CID 20672123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).