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

C12H22N2O2S — CID 107510895

IUPAC[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)CN(C)c1nc(COC)c(CO)s1
InChIInChI=1S/C12H22N2O2S/c1-5-9(2)6-14(3)12-13-10(8-16-4)11(7-15)17-12/h9,15H,5-8H2,1-4H3
InChIKeyNSJLTAIGWDJWCI-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.26
Rot. Bonds7

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

[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 107510895) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID107510895
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)CN(C)c1nc(COC)c(CO)s1
InChIInChI=1S/C12H22N2O2S/c1-5-9(2)6-14(3)12-13-10(8-16-4)11(7-15)17-12/h9,15H,5-8H2,1-4H3
InChIKeyNSJLTAIGWDJWCI-UHFFFAOYSA-N
XLogP2.26
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (CID 107510895) is [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is CCC(C)CN(C)c1nc(COC)c(CO)s1.
What is the InChIKey of [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is NSJLTAIGWDJWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-5-9(2)6-14(3)12-13-10(8-16-4)11(7-15)17-12/h9,15H,5-8H2,1-4H3.
What are the key properties of [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 258.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 107510895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).