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

C8H12N2S — CID 21131876

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine
SMILESC=C(NC)c1nc(C)sc1C
InChIInChI=1S/C8H12N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h9H,1H2,2-4H3
InChIKeyIDAOEMIPLFBSNJ-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.95
Rot. Bonds2

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

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine (PubChem CID 21131876) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine
PubChem CID21131876
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine
SMILESC=C(NC)c1nc(C)sc1C
InChIInChI=1S/C8H12N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h9H,1H2,2-4H3
InChIKeyIDAOEMIPLFBSNJ-UHFFFAOYSA-N
XLogP1.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine (CID 21131876) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine is C=C(NC)c1nc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine?
The InChIKey is IDAOEMIPLFBSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5(9-4)8-6(2)11-7(3)10-8/h9H,1H2,2-4H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine has a molecular weight of 168.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine is sourced from PubChem (CID 21131876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).