2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol

C11H19N3OS — CID 116966796

IUPAC2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol
SMILESCN1CCCC(c2csc(C(N)CO)n2)C1
InChIInChI=1S/C11H19N3OS/c1-14-4-2-3-8(5-14)10-7-16-11(13-10)9(12)6-15/h7-9,15H,2-6,12H2,1H3
InChIKeyLOCXNFBAPVWAPC-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol

2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 116966796) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID116966796
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol
SMILESCN1CCCC(c2csc(C(N)CO)n2)C1
InChIInChI=1S/C11H19N3OS/c1-14-4-2-3-8(5-14)10-7-16-11(13-10)9(12)6-15/h7-9,15H,2-6,12H2,1H3
InChIKeyLOCXNFBAPVWAPC-UHFFFAOYSA-N
XLogP0.94
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 116966791
2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116967494
3-amino-3-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966886
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
N,3-dimethyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967412
2-methyl-2-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116865503
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
CID 116969491
2-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116967273
2-methyl-3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116965792
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
CID 116969358
2-[2-(1-methylpiperidin-3-yl)-1,3-oxazol-4-yl]propan-1-ol
CID 115082650
1-(4-cyclopentyl-1,3-thiazol-2-yl)ethanol
CID 63379753

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol (CID 116966796) is 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol is CN1CCCC(c2csc(C(N)CO)n2)C1.
What is the InChIKey of 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is LOCXNFBAPVWAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-14-4-2-3-8(5-14)10-7-16-11(13-10)9(12)6-15/h7-9,15H,2-6,12H2,1H3.
What are the key properties of 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol?
2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 241.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 116966796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).