(5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol

C₁₁H₁₄N₂OS — CID 125454578

About (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol

(5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol (PubChem CID 125454578) has the molecular formula C₁₁H₁₄N₂OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol.

Molecular Properties

• Compound Name: (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol
• PubChem CID: 125454578
• Molecular Formula: C₁₁H₁₄N₂OS
• Molecular Weight: 222.31 g/mol
• Exact Mass: 222.08
• IUPAC Name: (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol
• SMILES: CCc1c(C)nc2snc(CO)c2c1C
• InChI: InChI=1S/C11H14N2OS/c1-4-8-6(2)10-9(5-14)13-15-11(10)12-7(8)3/h14H,4-5H2,1-3H3
• InChIKey: VQVOSFQOOKKAKT-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.31
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol?

The IUPAC name of (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol (CID 125454578) is (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol.

What is the SMILES notation for (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol?

The canonical SMILES for (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol is CCc1c(C)nc2snc(CO)c2c1C.

What is the InChIKey of (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol?

The InChIKey is VQVOSFQOOKKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-8-6(2)10-9(5-14)13-15-11(10)12-7(8)3/h14H,4-5H2,1-3H3.

What are the key properties of (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol?

(5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol has a molecular weight of 222.31 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethyl-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-yl)methanol is sourced from PubChem (CID 125454578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 125454578 — identifiers, structure, computed properties (public domain)

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