[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol

C11H20N2OS — CID 79481173

IUPAC[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)CN(CC)c1ncc(CO)s1
InChIInChI=1S/C11H20N2OS/c1-4-9(3)7-13(5-2)11-12-6-10(8-14)15-11/h6,9,14H,4-5,7-8H2,1-3H3
InChIKeyIGBDZHOMFDUZQB-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.51
Rot. Bonds6

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

[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 79481173) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID79481173
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCC(C)CN(CC)c1ncc(CO)s1
InChIInChI=1S/C11H20N2OS/c1-4-9(3)7-13(5-2)11-12-6-10(8-14)15-11/h6,9,14H,4-5,7-8H2,1-3H3
InChIKeyIGBDZHOMFDUZQB-UHFFFAOYSA-N
XLogP2.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (CID 79481173) is [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is CCC(C)CN(CC)c1ncc(CO)s1.
What is the InChIKey of [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is IGBDZHOMFDUZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-9(3)7-13(5-2)11-12-6-10(8-14)15-11/h6,9,14H,4-5,7-8H2,1-3H3.
What are the key properties of [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 228.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79481173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).