1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol

C12H20N2O2S — CID 62753865

IUPAC1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)CC2CCCCO2)s1
InChIInChI=1S/C12H20N2O2S/c1-9(15)11-7-13-12(17-11)14(2)8-10-5-3-4-6-16-10/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyQYEISVBBYYASFV-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62753865) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62753865
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)CC2CCCCO2)s1
InChIInChI=1S/C12H20N2O2S/c1-9(15)11-7-13-12(17-11)14(2)8-10-5-3-4-6-16-10/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyQYEISVBBYYASFV-UHFFFAOYSA-N
XLogP2.20
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62753863
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938475
1-[2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754186
1-[2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754390
4-chloro-2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 80687155
2-[2-(oxan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090950
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
1-[2-[methyl(pentyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754020
N-methyl-5-(methylaminomethyl)-N-(oxolan-2-ylmethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392795
1-[3-fluoro-4-[methyl(oxan-2-ylmethyl)amino]phenyl]ethanol
CID 61432196
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62753865) is 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(C)CC2CCCCO2)s1.
What is the InChIKey of 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is QYEISVBBYYASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-9(15)11-7-13-12(17-11)14(2)8-10-5-3-4-6-16-10/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 256.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(oxan-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62753865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).