2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane

C13H26N2S — CID 160631985

IUPAC2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane
SMILESC.CC.CC(C)(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H16N2S.C2H6.CH4/c1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2;/h11H,4-6H2,1-3H3;1-2H3;1H4
InChIKeyRIAMYTUJJFGDRA-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.75
Rot. Bonds

About 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane

2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane (PubChem CID 160631985) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane
PubChem CID160631985
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane
SMILESC.CC.CC(C)(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C10H16N2S.C2H6.CH4/c1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2;/h11H,4-6H2,1-3H3;1-2H3;1H4
InChIKeyRIAMYTUJJFGDRA-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane (CID 160631985) is 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane is C.CC.CC(C)(C)c1nc2c(s1)CNCC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane?
The InChIKey is RIAMYTUJJFGDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.C2H6.CH4/c1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-2;/h11H,4-6H2,1-3H3;1-2H3;1H4.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane?
2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane has a molecular weight of 242.43 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;ethane;methane is sourced from PubChem (CID 160631985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).