1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine

C11H21N3S — CID 62653543

IUPAC1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCN(CC)CCc1ncc(C(C)N)s1
InChIInChI=1S/C11H21N3S/c1-4-14(5-2)7-6-11-13-8-10(15-11)9(3)12/h8-9H,4-7,12H2,1-3H3
InChIKeyLEDOGUMLKMJAPF-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.05
Rot. Bonds6

About 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine

1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 62653543) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID62653543
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCN(CC)CCc1ncc(C(C)N)s1
InChIInChI=1S/C11H21N3S/c1-4-14(5-2)7-6-11-13-8-10(15-11)9(3)12/h8-9H,4-7,12H2,1-3H3
InChIKeyLEDOGUMLKMJAPF-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
[(2-Ethyl-1,3-thiazol-5-yl)methyl](methyl)amine
CID 50987848
N,2-Dimethyl-5-thiazolemethanamine
CID 20312952
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(2-Methyl-1,3-thiazol-5-yl)methanamine
CID 19046689
1-(1,3-Thiazol-5-yl)ethan-1-amine
CID 19817653
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
1-(5-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274473
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine (CID 62653543) is 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine is CCN(CC)CCc1ncc(C(C)N)s1.
What is the InChIKey of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LEDOGUMLKMJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-14(5-2)7-6-11-13-8-10(15-11)9(3)12/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62653543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).