1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol

C11H20N2OS — CID 62754517

IUPAC1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCC(C)N(C)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-6-7(2)13(5)11-12-8(3)10(15-11)9(4)14/h7,9,14H,6H2,1-5H3
InChIKeyUKOQVFUQKHAPRP-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.74
Rot. Bonds4

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

1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol (PubChem CID 62754517) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
PubChem CID62754517
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
SMILESCCC(C)N(C)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C11H20N2OS/c1-6-7(2)13(5)11-12-8(3)10(15-11)9(4)14/h7,9,14H,6H2,1-5H3
InChIKeyUKOQVFUQKHAPRP-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol (CID 62754517) is 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol is CCC(C)N(C)c1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
The InChIKey is UKOQVFUQKHAPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-6-7(2)13(5)11-12-8(3)10(15-11)9(4)14/h7,9,14H,6H2,1-5H3.
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol?
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol has a molecular weight of 228.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62754517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).