2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol

C13H24N2OS — CID 81419564

IUPAC2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC(C)c1nc(C)cs1
InChIInChI=1S/C13H24N2OS/c1-5-13(6-2,9-16)8-14-11(4)12-15-10(3)7-17-12/h7,11,14,16H,5-6,8-9H2,1-4H3
InChIKeyRHAIOAJXFIBOBK-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.90
Rot. Bonds7

About 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol

2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol (PubChem CID 81419564) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol
PubChem CID81419564
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC(C)c1nc(C)cs1
InChIInChI=1S/C13H24N2OS/c1-5-13(6-2,9-16)8-14-11(4)12-15-10(3)7-17-12/h7,11,14,16H,5-6,8-9H2,1-4H3
InChIKeyRHAIOAJXFIBOBK-UHFFFAOYSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579189
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
2-[[1-(3,4-dimethylphenyl)ethylamino]methyl]-2-ethylbutan-1-ol
CID 103904636
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
4-methyl-2-pentan-2-yl-1,3-thiazole
CID 138644100
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
2,2-dimethyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanenitrile
CID 65253845
ethyl 4-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoate
CID 63022935
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115693156
1-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63089651
2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
CID 81412437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol (CID 81419564) is 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol is CCC(CC)(CO)CNC(C)c1nc(C)cs1.
What is the InChIKey of 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol?
The InChIKey is RHAIOAJXFIBOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-13(6-2,9-16)8-14-11(4)12-15-10(3)7-17-12/h7,11,14,16H,5-6,8-9H2,1-4H3.
What are the key properties of 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol?
2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).