2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol

C11H20N2OS — CID 115707398

IUPAC2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
SMILESCc1nc(C(C)C)sc1C(C)NCCO
InChIInChI=1S/C11H20N2OS/c1-7(2)11-13-9(4)10(15-11)8(3)12-5-6-14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyJQNIUQGUJLNZQK-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.22
Rot. Bonds5

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

2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol (PubChem CID 115707398) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
PubChem CID115707398
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
SMILESCc1nc(C(C)C)sc1C(C)NCCO
InChIInChI=1S/C11H20N2OS/c1-7(2)11-13-9(4)10(15-11)8(3)12-5-6-14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyJQNIUQGUJLNZQK-UHFFFAOYSA-N
XLogP2.22
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
3-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 116885395
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 55241750
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol (CID 115707398) is 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol is Cc1nc(C(C)C)sc1C(C)NCCO.
What is the InChIKey of 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol?
The InChIKey is JQNIUQGUJLNZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-7(2)11-13-9(4)10(15-11)8(3)12-5-6-14/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol?
2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol has a molecular weight of 228.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 115707398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).