1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C11H21N3S — CID 115346935

IUPAC1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(CCN(C)C)nc1C
InChIInChI=1S/C11H21N3S/c1-8(12-3)11-9(2)13-10(15-11)6-7-14(4)5/h8,12H,6-7H2,1-5H3
InChIKeyOEIUHOCEXFQDQJ-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.84
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 115346935) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID115346935
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(CCN(C)C)nc1C
InChIInChI=1S/C11H21N3S/c1-8(12-3)11-9(2)13-10(15-11)6-7-14(4)5/h8,12H,6-7H2,1-5H3
InChIKeyOEIUHOCEXFQDQJ-UHFFFAOYSA-N
XLogP1.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287596
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62693429
N-methyl-1-[4-methyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62551593
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 62750586
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)-1,3-thiazol-2-amine
CID 112666365
N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 115886207
N,4-dimethyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751969
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 55118656
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793
1-[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289018
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 115346935) is 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(CCN(C)C)nc1C.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is OEIUHOCEXFQDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8(12-3)11-9(2)13-10(15-11)6-7-14(4)5/h8,12H,6-7H2,1-5H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 227.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 115346935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).