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

C9H16N2S — CID 54594887

IUPAC1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCCc1nc(C)c(C(C)NC)s1
InChIInChI=1S/C9H16N2S/c1-5-8-11-7(3)9(12-8)6(2)10-4/h6,10H,5H2,1-4H3
InChIKeyBXKICDINHVGKIJ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.29
Rot. Bonds3

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

1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 54594887) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID54594887
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCCc1nc(C)c(C(C)NC)s1
InChIInChI=1S/C9H16N2S/c1-5-8-11-7(3)9(12-8)6(2)10-4/h6,10H,5H2,1-4H3
InChIKeyBXKICDINHVGKIJ-UHFFFAOYSA-N
XLogP2.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 15670034
1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethan-1-amine
CID 19805509
[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 54444371
N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
2-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanamine;hydrobromide
CID 45261526
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 72126106
4-Thiazolemethanamine, alpha,2,5-trimethyl-, hydrochloride (1:2)
CID 50944361
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
2-ethyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62079696
Methyl((4-methyl-2-propyl-1,3-thiazol-5-yl)methyl)amine
CID 62402846
2-ethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine dihydrochloride
CID 132354072

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 54594887) is 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is CCc1nc(C)c(C(C)NC)s1.
What is the InChIKey of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is BXKICDINHVGKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-5-8-11-7(3)9(12-8)6(2)10-4/h6,10H,5H2,1-4H3.
What are the key properties of 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine?
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 54594887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).