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

C11H18N2OS — CID 115090753

IUPAC1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCCN2C)s1
InChIInChI=1S/C11H18N2OS/c1-8(14)10-7-12-11(15-10)6-9-4-3-5-13(9)2/h7-9,14H,3-6H2,1-2H3
InChIKeyJRGOTPOCNQXHSZ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.83
Rot. Bonds3

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

1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 115090753) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
PubChem CID115090753
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CC2CCCN2C)s1
InChIInChI=1S/C11H18N2OS/c1-8(14)10-7-12-11(15-10)6-9-4-3-5-13(9)2/h7-9,14H,3-6H2,1-2H3
InChIKeyJRGOTPOCNQXHSZ-UHFFFAOYSA-N
XLogP1.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091039
1-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanol
CID 115086123
2-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115090781
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
1-[2-[(1,1-dioxothian-3-yl)methyl]-1,3-thiazol-5-yl]ethanol
CID 115091052
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115085991
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115090863
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091118
1-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091086
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522433
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-thiazol-5-yl]ethanol
CID 115090612
2-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090518

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol (CID 115090753) is 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(CC2CCCN2C)s1.
What is the InChIKey of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is JRGOTPOCNQXHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(14)10-7-12-11(15-10)6-9-4-3-5-13(9)2/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol?
1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 115090753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).