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

C12H22N2OS — CID 43774132

IUPAC2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCO
InChIInChI=1S/C12H22N2OS/c1-8(13-6-7-15)10-9(2)14-11(16-10)12(3,4)5/h8,13,15H,6-7H2,1-5H3
InChIKeyMRNLPITUABSZNZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.39
Rot. Bonds4

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

2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol (PubChem CID 43774132) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
PubChem CID43774132
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
SMILESCc1nc(C(C)(C)C)sc1C(C)NCCO
InChIInChI=1S/C12H22N2OS/c1-8(13-6-7-15)10-9(2)14-11(16-10)12(3,4)5/h8,13,15H,6-7H2,1-5H3
InChIKeyMRNLPITUABSZNZ-UHFFFAOYSA-N
XLogP2.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763215
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634562
3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 60926611
2-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 115707398
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713038
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238671
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43764241
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N-cyclopropylacetamide
CID 43778001
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014973

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol (CID 43774132) is 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol is Cc1nc(C(C)(C)C)sc1C(C)NCCO.
What is the InChIKey of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol?
The InChIKey is MRNLPITUABSZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(13-6-7-15)10-9(2)14-11(16-10)12(3,4)5/h8,13,15H,6-7H2,1-5H3.
What are the key properties of 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol?
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol has a molecular weight of 242.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 43774132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).