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

C10H18N2OS2 — CID 112666407

IUPAC1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCSCC(C)N(C)c1nc(C(C)O)cs1
InChIInChI=1S/C10H18N2OS2/c1-7(5-14-4)12(3)10-11-9(6-15-10)8(2)13/h6-8,13H,5H2,1-4H3
InChIKeyHMAIEXMJCWWWMA-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.38
Rot. Bonds5

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

1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol (PubChem CID 112666407) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
PubChem CID112666407
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
SMILESCSCC(C)N(C)c1nc(C(C)O)cs1
InChIInChI=1S/C10H18N2OS2/c1-7(5-14-4)12(3)10-11-9(6-15-10)8(2)13/h6-8,13H,5H2,1-4H3
InChIKeyHMAIEXMJCWWWMA-UHFFFAOYSA-N
XLogP2.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[ethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544599
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-1,3-thiazol-4-yl]ethanol
CID 103191902
1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544603
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406
1-[2-[3-(dimethylamino)propyl-ethylamino]-1,3-thiazol-4-yl]ethanol
CID 102998002
1-[2-[bis(cyclopropylmethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64542378
1-[2-[methyl(2-propan-2-yloxyethyl)amino]-1,3-thiazol-4-yl]ethanol
CID 81068705
1-[2-[ethyl(1-methoxypropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
CID 64545007
1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol
CID 64545008
1-[2-(N,4-dimethylanilino)-1,3-thiazol-4-yl]ethanol
CID 64543596
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol (CID 112666407) is 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol is CSCC(C)N(C)c1nc(C(C)O)cs1.
What is the InChIKey of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol?
The InChIKey is HMAIEXMJCWWWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-7(5-14-4)12(3)10-11-9(6-15-10)8(2)13/h6-8,13H,5H2,1-4H3.
What are the key properties of 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol?
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol has a molecular weight of 246.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 112666407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).