2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol

C13H24N2OS — CID 81419325

IUPAC2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C13H24N2OS/c1-6-13(5,8-16)7-14-9(2)12-10(3)15-11(4)17-12/h9,14,16H,6-8H2,1-5H3
InChIKeyLUHBHLHCTONBMD-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.82
Rot. Bonds6

About 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol

2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81419325) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
PubChem CID81419325
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C13H24N2OS/c1-6-13(5,8-16)7-14-9(2)12-10(3)15-11(4)17-12/h9,14,16H,6-8H2,1-5H3
InChIKeyLUHBHLHCTONBMD-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol (CID 81419325) is 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC(C)c1sc(C)nc1C.
What is the InChIKey of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is LUHBHLHCTONBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-13(5,8-16)7-14-9(2)12-10(3)15-11(4)17-12/h9,14,16H,6-8H2,1-5H3.
What are the key properties of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol?
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81419325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).