3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol

C13H24N2OS — CID 79053668

IUPAC3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1csc(C)n1
InChIInChI=1S/C13H24N2OS/c1-6-15(7-2)13(4,5)12(16)8-11-9-17-10(3)14-11/h9,12,16H,6-8H2,1-5H3
InChIKeyKJPHMQXBEKAHPX-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.48
Rot. Bonds6

About 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol

3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol (PubChem CID 79053668) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol
PubChem CID79053668
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol
SMILESCCN(CC)C(C)(C)C(O)Cc1csc(C)n1
InChIInChI=1S/C13H24N2OS/c1-6-15(7-2)13(4,5)12(16)8-11-9-17-10(3)14-11/h9,12,16H,6-8H2,1-5H3
InChIKeyKJPHMQXBEKAHPX-UHFFFAOYSA-N
XLogP2.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N-diethyl-2-N,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentane-2,3-diamine
CID 79068599
3-(diethylamino)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 79052755
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-ol
CID 62798257
5,5,5-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-ol
CID 64565731
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
4-[2-(chloromethyl)-3,3-dimethylbutyl]-2-methyl-1,3-thiazole
CID 83141213
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
[3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-yl]hydrazine
CID 105316246
N-ethyl-3,3-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-amine
CID 104997067
5-(2-methyl-1,3-thiazol-4-yl)pentane-1,4-diol
CID 106677820

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol?
The IUPAC name of 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol (CID 79053668) is 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol is CCN(CC)C(C)(C)C(O)Cc1csc(C)n1.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol?
The InChIKey is KJPHMQXBEKAHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-15(7-2)13(4,5)12(16)8-11-9-17-10(3)14-11/h9,12,16H,6-8H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol?
3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol has a molecular weight of 256.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-ol is sourced from PubChem (CID 79053668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).