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

C9H16N2OS2 — CID 112666401

IUPAC[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCSCC(C)N(C)c1ncc(CO)s1
InChIInChI=1S/C9H16N2OS2/c1-7(6-13-3)11(2)9-10-4-8(5-12)14-9/h4,7,12H,5-6H2,1-3H3
InChIKeyXCMOUWJUXDABPJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.82
Rot. Bonds5

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

[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 112666401) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID112666401
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCSCC(C)N(C)c1ncc(CO)s1
InChIInChI=1S/C9H16N2OS2/c1-7(6-13-3)11(2)9-10-4-8(5-12)14-9/h4,7,12H,5-6H2,1-3H3
InChIKeyXCMOUWJUXDABPJ-UHFFFAOYSA-N
XLogP1.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 79481173
[4-chloro-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 112661812
5-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 62752234
[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62754215
[2-[2-(dimethylamino)ethyl-propylamino]-1,3-thiazol-5-yl]methanol
CID 62754062
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62752479
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
[2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]methanol
CID 62752500
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanol
CID 112666407
[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol
CID 55111939
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62752523
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol (CID 112666401) is [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol is CSCC(C)N(C)c1ncc(CO)s1.
What is the InChIKey of [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is XCMOUWJUXDABPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-7(6-13-3)11(2)9-10-4-8(5-12)14-9/h4,7,12H,5-6H2,1-3H3.
What are the key properties of [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol?
[2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 232.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 112666401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).