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

C11H20N2OS — CID 62755061

IUPAC1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(C)CCN(C)c1ncc(C(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-8(2)5-6-13(4)11-12-7-10(15-11)9(3)14/h7-9,14H,5-6H2,1-4H3
InChIKeyBYNVOUOLCAEILW-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.68
Rot. Bonds5

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

1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62755061) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62755061
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(C)CCN(C)c1ncc(C(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-8(2)5-6-13(4)11-12-7-10(15-11)9(3)14/h7-9,14H,5-6H2,1-4H3
InChIKeyBYNVOUOLCAEILW-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62755061) is 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol is CC(C)CCN(C)c1ncc(C(C)O)s1.
What is the InChIKey of 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is BYNVOUOLCAEILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)5-6-13(4)11-12-7-10(15-11)9(3)14/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 228.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62755061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).