2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol

C12H22N2OS — CID 115920282

IUPAC2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
SMILESCCC(CC)(CO)NC(C)c1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-5-12(6-2,8-15)14-9(3)11-7-13-10(4)16-11/h7,9,14-15H,5-6,8H2,1-4H3
InChIKeyUAGMVMQPAFUKKJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.65
Rot. Bonds6

About 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol

2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol (PubChem CID 115920282) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
PubChem CID115920282
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
SMILESCCC(CC)(CO)NC(C)c1cnc(C)s1
InChIInChI=1S/C12H22N2OS/c1-5-12(6-2,8-15)14-9(3)11-7-13-10(4)16-11/h7,9,14-15H,5-6,8H2,1-4H3
InChIKeyUAGMVMQPAFUKKJ-UHFFFAOYSA-N
XLogP2.65
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromo-1,3-thiazol-2-yl)ethylamino]-2-ethylbutan-1-ol
CID 115920296
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
3-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol
CID 115777954
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 115777834
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]pent-4-en-2-amine
CID 115890511
2-methyl-5-[(2S)-3-methylbutan-2-yl]-1,3-thiazole
CID 166765987
1-(2-methyl-1,3-thiazol-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 115888868
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol (CID 115920282) is 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol is CCC(CC)(CO)NC(C)c1cnc(C)s1.
What is the InChIKey of 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
The InChIKey is UAGMVMQPAFUKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-12(6-2,8-15)14-9(3)11-7-13-10(4)16-11/h7,9,14-15H,5-6,8H2,1-4H3.
What are the key properties of 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol?
2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115920282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).