2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol

C16H22N2OS — CID 62754698

IUPAC2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCCC(C)N(C)c1nc(CC(O)c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-4-12(2)18(3)16-17-14(11-20-16)10-15(19)13-8-6-5-7-9-13/h5-9,11-12,15,19H,4,10H2,1-3H3
InChIKeyYRKXGBCHKXEERO-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.65
Rot. Bonds6

About 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol

2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol (PubChem CID 62754698) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
PubChem CID62754698
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
SMILESCCC(C)N(C)c1nc(CC(O)c2ccccc2)cs1
InChIInChI=1S/C16H22N2OS/c1-4-12(2)18(3)16-17-14(11-20-16)10-15(19)13-8-6-5-7-9-13/h5-9,11-12,15,19H,4,10H2,1-3H3
InChIKeyYRKXGBCHKXEERO-UHFFFAOYSA-N
XLogP3.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazol-4-yl]-1-phenylethanol
CID 62752810
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanol
CID 62364984
3-[2-[1-(4-chlorophenyl)ethyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487480
N-butan-2-yl-4-[2-(cyclopropylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 114275792
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644
2-[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 79712451
(1R)-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]-1-phenylpropan-1-ol
CID 124758426
3-[2-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103488756
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
2-[2-(2-methyloxan-2-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 80685288
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126

Frequently Asked Questions

What is the IUPAC name of 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
The IUPAC name of 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol (CID 62754698) is 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol.
What is the SMILES notation for 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
The canonical SMILES for 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol is CCC(C)N(C)c1nc(CC(O)c2ccccc2)cs1.
What is the InChIKey of 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
The InChIKey is YRKXGBCHKXEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-12(2)18(3)16-17-14(11-20-16)10-15(19)13-8-6-5-7-9-13/h5-9,11-12,15,19H,4,10H2,1-3H3.
What are the key properties of 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol?
2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol has a molecular weight of 290.43 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[butan-2-yl(methyl)amino]-1,3-thiazol-4-yl]-1-phenylethanol is sourced from PubChem (CID 62754698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).