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

C8H12N2S2 — CID 62693672

IUPAC2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCSCc1nc2c(s1)CNCC2
InChIInChI=1S/C8H12N2S2/c1-11-5-8-10-6-2-3-9-4-7(6)12-8/h9H,2-5H2,1H3
InChIKeyPVTBHTGMXKZGNI-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.65
Rot. Bonds2

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

2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 62693672) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID62693672
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESCSCc1nc2c(s1)CNCC2
InChIInChI=1S/C8H12N2S2/c1-11-5-8-10-6-2-3-9-4-7(6)12-8/h9H,2-5H2,1H3
InChIKeyPVTBHTGMXKZGNI-UHFFFAOYSA-N
XLogP1.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 62693672) is 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is CSCc1nc2c(s1)CNCC2.
What is the InChIKey of 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is PVTBHTGMXKZGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-11-5-8-10-6-2-3-9-4-7(6)12-8/h9H,2-5H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 200.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 62693672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).