[4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol

C₁₃H₂₀N₂O₂S — CID 63916252

About [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 63916252) has the molecular formula C₁₃H₂₀N₂O₂S and a molecular weight of 268.38 g/mol. Its IUPAC name is [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

• Compound Name: [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
• PubChem CID: 63916252
• Molecular Formula: C₁₃H₂₀N₂O₂S
• Molecular Weight: 268.38 g/mol
• Exact Mass: 268.12
• IUPAC Name: [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
• SMILES: CCC1COCCN1c1nc(C2CC2)c(CO)s1
• InChI: InChI=1S/C13H20N2O2S/c1-2-10-8-17-6-5-15(10)13-14-12(9-3-4-9)11(7-16)18-13/h9-10,16H,2-8H2,1H3
• InChIKey: UZCHEBZBOOHIBM-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.38
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol?

The IUPAC name of [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol (CID 63916252) is [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol.

What is the SMILES notation for [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol?

The canonical SMILES for [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol is CCC1COCCN1c1nc(C2CC2)c(CO)s1.

What is the InChIKey of [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol?

The InChIKey is UZCHEBZBOOHIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-10-8-17-6-5-15(10)13-14-12(9-3-4-9)11(7-16)18-13/h9-10,16H,2-8H2,1H3.

What are the key properties of [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol?

[4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 268.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-cyclopropyl-2-(3-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63916252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63916252 — identifiers, structure, computed properties (public domain)

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