2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine

C10H16N2S — CID 83879970

IUPAC2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)(C)c1nc2c(s1)NCCC2
InChIInChI=1S/C10H16N2S/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h11H,4-6H2,1-3H3
InChIKeyWNVBVVQLCZPCIA-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.80
Rot. Bonds

About 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine

2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 83879970) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine
PubChem CID83879970
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)(C)c1nc2c(s1)NCCC2
InChIInChI=1S/C10H16N2S/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h11H,4-6H2,1-3H3
InChIKeyWNVBVVQLCZPCIA-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.80
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-b]pyridine?
The IUPAC name of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine (CID 83879970) is 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine is CC(C)(C)c1nc2c(s1)NCCC2.
What is the InChIKey of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is WNVBVVQLCZPCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2,3)9-12-7-5-4-6-11-8(7)13-9/h11H,4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine?
2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 196.32 g/mol, XLogP of 2.80, 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-b]pyridine is sourced from PubChem (CID 83879970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).