2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

C10H16N2S2 — CID 65133539

IUPAC2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)SCc1nc2c(s1)CNCC2
InChIInChI=1S/C10H16N2S2/c1-7(2)13-6-10-12-8-3-4-11-5-9(8)14-10/h7,11H,3-6H2,1-2H3
InChIKeyTUWLSZLKXSPQBL-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.43
Rot. Bonds3

About 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 65133539) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID65133539
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCC(C)SCc1nc2c(s1)CNCC2
InChIInChI=1S/C10H16N2S2/c1-7(2)13-6-10-12-8-3-4-11-5-9(8)14-10/h7,11H,3-6H2,1-2H3
InChIKeyTUWLSZLKXSPQBL-UHFFFAOYSA-N
XLogP2.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 65133539) is 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CC(C)SCc1nc2c(s1)CNCC2.
What is the InChIKey of 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is TUWLSZLKXSPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7(2)13-6-10-12-8-3-4-11-5-9(8)14-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 228.39 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 65133539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).