1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol

C9H16N2O2S — CID 79493515

IUPAC1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1nccs1
InChIInChI=1S/C9H16N2O2S/c1-11(5-8(12)7-13-2)6-9-10-3-4-14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyHRJLYTJGCKVCBA-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.58
Rot. Bonds6

About 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol

1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol (PubChem CID 79493515) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
PubChem CID79493515
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol
SMILESCOCC(O)CN(C)Cc1nccs1
InChIInChI=1S/C9H16N2O2S/c1-11(5-8(12)7-13-2)6-9-10-3-4-14-9/h3-4,8,12H,5-7H2,1-2H3
InChIKeyHRJLYTJGCKVCBA-UHFFFAOYSA-N
XLogP0.58
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol (CID 79493515) is 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol is COCC(O)CN(C)Cc1nccs1.
What is the InChIKey of 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
The InChIKey is HRJLYTJGCKVCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-11(5-8(12)7-13-2)6-9-10-3-4-14-9/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol?
1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol has a molecular weight of 216.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 79493515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).