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

C12H22N2OS — CID 62754901

IUPAC1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)CCC(C)C)sc1C(C)O
InChIInChI=1S/C12H22N2OS/c1-8(2)6-7-14(5)12-13-9(3)11(16-12)10(4)15/h8,10,15H,6-7H2,1-5H3
InChIKeyYIBZTVQHYPFMTO-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.99
Rot. Bonds5

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

1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 62754901) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID62754901
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCc1nc(N(C)CCC(C)C)sc1C(C)O
InChIInChI=1S/C12H22N2OS/c1-8(2)6-7-14(5)12-13-9(3)11(16-12)10(4)15/h8,10,15H,6-7H2,1-5H3
InChIKeyYIBZTVQHYPFMTO-UHFFFAOYSA-N
XLogP2.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[methyl(2-methylpropyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62753850
1-[2-[butan-2-yl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62754517
1-[4-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62752452
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 115691904
1-[4-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-thiazol-5-yl]ethanol
CID 112666406
1-[2-[benzyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 62753842
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 103191898
1-[4-methyl-2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63707531
1-[4-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-5-yl]ethanol
CID 55112508
1-[2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol
CID 62755061
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750586
[4-ethyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 62778344

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol (CID 62754901) is 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol is Cc1nc(N(C)CCC(C)C)sc1C(C)O.
What is the InChIKey of 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is YIBZTVQHYPFMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)6-7-14(5)12-13-9(3)11(16-12)10(4)15/h8,10,15H,6-7H2,1-5H3.
What are the key properties of 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 242.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[methyl(3-methylbutyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62754901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).