2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol

C10H18N2OS2 — CID 115879356

IUPAC2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCSCC(C)(O)CNC(C)c1cscn1
InChIInChI=1S/C10H18N2OS2/c1-8(9-4-15-7-12-9)11-5-10(2,13)6-14-3/h4,7-8,11,13H,5-6H2,1-3H3
InChIKeyLMZISPLWJVJNOK-UHFFFAOYSA-N
MW246.40 g/mol
LogP1.91
Rot. Bonds6

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

2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol (PubChem CID 115879356) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
PubChem CID115879356
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
SMILESCSCC(C)(O)CNC(C)c1cscn1
InChIInChI=1S/C10H18N2OS2/c1-8(9-4-15-7-12-9)11-5-10(2,13)6-14-3/h4,7-8,11,13H,5-6H2,1-3H3
InChIKeyLMZISPLWJVJNOK-UHFFFAOYSA-N
XLogP1.91
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-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

1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115895822
1-[1-(4-tert-butylphenyl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103717064
N-tert-butylsulfanyl-1-(1,3-thiazol-4-yl)ethanamine
CID 155231694
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 104925969
1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
N-[(4-bromophenyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879170
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
1-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103921443

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol (CID 115879356) is 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol is CSCC(C)(O)CNC(C)c1cscn1.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is LMZISPLWJVJNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-8(9-4-15-7-12-9)11-5-10(2,13)6-14-3/h4,7-8,11,13H,5-6H2,1-3H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 246.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115879356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).