1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol

C12H20N2OS — CID 115088348

IUPAC1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCCN2C(C)C)n1
InChIInChI=1S/C12H20N2OS/c1-8(2)14-6-4-5-11(14)12-13-10(7-16-12)9(3)15/h7-9,11,15H,4-6H2,1-3H3
InChIKeyQUPAWRIVUYUXQO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.74
Rot. Bonds3

About 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol

1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 115088348) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID115088348
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2CCCN2C(C)C)n1
InChIInChI=1S/C12H20N2OS/c1-8(2)14-6-4-5-11(14)12-13-10(7-16-12)9(3)15/h7-9,11,15H,4-6H2,1-3H3
InChIKeyQUPAWRIVUYUXQO-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
CID 115088355
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088447
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 65328718
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazole
CID 67986575
1-[2-(1-methylpiperidin-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088531
1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64542379
2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidine
CID 89274443
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
ethyl 2-[(2R)-1-[(2R)-pentan-2-yl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 124625189
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol (CID 115088348) is 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C2CCCN2C(C)C)n1.
What is the InChIKey of 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is QUPAWRIVUYUXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)14-6-4-5-11(14)12-13-10(7-16-12)9(3)15/h7-9,11,15H,4-6H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol?
1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 240.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 115088348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).