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

C11H20N2OS2 — CID 112666406

IUPAC1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCSCC(C)N(C)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C11H20N2OS2/c1-7(6-15-5)13(4)11-12-8(2)10(16-11)9(3)14/h7,9,14H,6H2,1-5H3
InChIKeyMZODTLHVLGVRFN-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.69
Rot. Bonds5

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

1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 112666406) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID112666406
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCSCC(C)N(C)c1nc(C)c(C(C)O)s1
InChIInChI=1S/C11H20N2OS2/c1-7(6-15-5)13(4)11-12-8(2)10(16-11)9(3)14/h7,9,14H,6H2,1-5H3
InChIKeyMZODTLHVLGVRFN-UHFFFAOYSA-N
XLogP2.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol (CID 112666406) is 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol is CSCC(C)N(C)c1nc(C)c(C(C)O)s1.
What is the InChIKey of 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is MZODTLHVLGVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-7(6-15-5)13(4)11-12-8(2)10(16-11)9(3)14/h7,9,14H,6H2,1-5H3.
What are the key properties of 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 260.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 112666406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).