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

C10H16N2O2S — CID 62752479

IUPAC[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(c1ncc(CO)s1)C1CCOCC1
InChIInChI=1S/C10H16N2O2S/c1-12(8-2-4-14-5-3-8)10-11-6-9(7-13)15-10/h6,8,13H,2-5,7H2,1H3
InChIKeyJFNLNTGSFHGDJR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.25
Rot. Bonds3

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

[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62752479) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62752479
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(c1ncc(CO)s1)C1CCOCC1
InChIInChI=1S/C10H16N2O2S/c1-12(8-2-4-14-5-3-8)10-11-6-9(7-13)15-10/h6,8,13H,2-5,7H2,1H3
InChIKeyJFNLNTGSFHGDJR-UHFFFAOYSA-N
XLogP1.25
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol (CID 62752479) is [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol is CN(c1ncc(CO)s1)C1CCOCC1.
What is the InChIKey of [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is JFNLNTGSFHGDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-12(8-2-4-14-5-3-8)10-11-6-9(7-13)15-10/h6,8,13H,2-5,7H2,1H3.
What are the key properties of [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol?
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 228.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62752479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).