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

C8H14N2S — CID 82598268

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNCCc1sc(C)nc1C
InChIInChI=1S/C8H14N2S/c1-6-8(4-5-9-3)11-7(2)10-6/h9H,4-5H2,1-3H3
InChIKeyIBAMJFOKNDXIAR-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.52
Rot. Bonds3

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 82598268) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID82598268
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCNCCc1sc(C)nc1C
InChIInChI=1S/C8H14N2S/c1-6-8(4-5-9-3)11-7(2)10-6/h9H,4-5H2,1-3H3
InChIKeyIBAMJFOKNDXIAR-UHFFFAOYSA-N
XLogP1.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 82598268) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine is CNCCc1sc(C)nc1C.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is IBAMJFOKNDXIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-8(4-5-9-3)11-7(2)10-6/h9H,4-5H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 170.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 82598268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).