[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol

C12H22N2OS — CID 62778344

IUPAC[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)CCC(C)C)sc1CO
InChIInChI=1S/C12H22N2OS/c1-5-10-11(8-15)16-12(13-10)14(4)7-6-9(2)3/h9,15H,5-8H2,1-4H3
InChIKeyKWSYLWHWIRESHM-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.68
Rot. Bonds6

About [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol

[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 62778344) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID62778344
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(N(C)CCC(C)C)sc1CO
InChIInChI=1S/C12H22N2OS/c1-5-10-11(8-15)16-12(13-10)14(4)7-6-9(2)3/h9,15H,5-8H2,1-4H3
InChIKeyKWSYLWHWIRESHM-UHFFFAOYSA-N
XLogP2.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778647
[4-ethyl-2-[ethyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62780324
[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780335
[4-cyclopropyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 63917237
4-ethyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62767763
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
[2-[methyl(pentyl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392570
[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
4-(methoxymethyl)-N-methyl-N-(3-methylbutyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 107510230
N-butyl-4-ethyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62766184
N'-[4-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63725858
N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78917407

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol (CID 62778344) is [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is CCc1nc(N(C)CCC(C)C)sc1CO.
What is the InChIKey of [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is KWSYLWHWIRESHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-10-11(8-15)16-12(13-10)14(4)7-6-9(2)3/h9,15H,5-8H2,1-4H3.
What are the key properties of [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 242.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).