1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol

C13H22N2O2S — CID 63707531

IUPAC1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)CC2CCOCC2)sc1C(C)O
InChIInChI=1S/C13H22N2O2S/c1-9-12(10(2)16)18-13(14-9)15(3)8-11-4-6-17-7-5-11/h10-11,16H,4-8H2,1-3H3
InChIKeyBPEDYEJCZJSXPW-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.37
Rot. Bonds4

About 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol

1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 63707531) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID63707531
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)CC2CCOCC2)sc1C(C)O
InChIInChI=1S/C13H22N2O2S/c1-9-12(10(2)16)18-13(14-9)15(3)8-11-4-6-17-7-5-11/h10-11,16H,4-8H2,1-3H3
InChIKeyBPEDYEJCZJSXPW-UHFFFAOYSA-N
XLogP2.37
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63705683
[2-[methyl(oxan-4-ylmethyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393576
1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63654925
1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62754901
1-[4-methyl-2-[methyl-(2-methyloxolan-3-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 82754565
[4-tert-butyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]methanol
CID 63706858
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
methyl 4-chloro-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63706083
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63706852
4-cyclopropyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63916614

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol (CID 63707531) is 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)CC2CCOCC2)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is BPEDYEJCZJSXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-12(10(2)16)18-13(14-9)15(3)8-11-4-6-17-7-5-11/h10-11,16H,4-8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 270.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 63707531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).