2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol

C12H20N2OS — CID 115089779

IUPAC2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(C)N1CCC(c2ncc(CCO)s2)C1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-5-3-10(8-14)12-13-7-11(16-12)4-6-15/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyPSYKVVHNKZTKOD-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.88
Rot. Bonds4

About 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol

2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 115089779) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID115089779
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(C)N1CCC(c2ncc(CCO)s2)C1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-5-3-10(8-14)12-13-7-11(16-12)4-6-15/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyPSYKVVHNKZTKOD-UHFFFAOYSA-N
XLogP1.88
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol (CID 115089779) is 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol is CC(C)N1CCC(c2ncc(CCO)s2)C1.
What is the InChIKey of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is PSYKVVHNKZTKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)14-5-3-10(8-14)12-13-7-11(16-12)4-6-15/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol?
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115089779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).