5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C12H21N3OS — CID 82754199

IUPAC5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)C2CCOC2)s1
InChIInChI=1S/C12H21N3OS/c1-4-13-9(2)11-7-14-12(17-11)15(3)10-5-6-16-8-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyYSZNGTNINCLZLX-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.04
Rot. Bonds5

About 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82754199) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82754199
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCNC(C)c1cnc(N(C)C2CCOC2)s1
InChIInChI=1S/C12H21N3OS/c1-4-13-9(2)11-7-14-12(17-11)15(3)10-5-6-16-8-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyYSZNGTNINCLZLX-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62752148
5-[(tert-butylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753672
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754021
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62750099
5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112349
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62750457
N-ethyl-5-[1-(ethylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750257
5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62754150
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62752479
5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754993

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 82754199) is 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is CCNC(C)c1cnc(N(C)C2CCOC2)s1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is YSZNGTNINCLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-13-9(2)11-7-14-12(17-11)15(3)10-5-6-16-8-10/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82754199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).