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

C13H22N2OS — CID 115090781

IUPAC2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(C)N1CCCC1Cc1ncc(CCO)s1
InChIInChI=1S/C13H22N2OS/c1-10(2)15-6-3-4-11(15)8-13-14-9-12(17-13)5-7-16/h9-11,16H,3-8H2,1-2H3
InChIKeyTVXHDDUPZMUBJE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.09
Rot. Bonds5

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

2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 115090781) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
PubChem CID115090781
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(C)N1CCCC1Cc1ncc(CCO)s1
InChIInChI=1S/C13H22N2OS/c1-10(2)15-6-3-4-11(15)8-13-14-9-12(17-13)5-7-16/h9-11,16H,3-8H2,1-2H3
InChIKeyTVXHDDUPZMUBJE-UHFFFAOYSA-N
XLogP2.09
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.09
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-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol (CID 115090781) is 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol is CC(C)N1CCCC1Cc1ncc(CCO)s1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is TVXHDDUPZMUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)15-6-3-4-11(15)8-13-14-9-12(17-13)5-7-16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 254.40 g/mol, XLogP of 2.09, 5 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-2-yl)methyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115090781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).