(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine

C7H10N2S — CID 90120326

IUPAC(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine
SMILESCN(C)/C=C/c1nccs1
InChIInChI=1S/C7H10N2S/c1-9(2)5-3-7-8-4-6-10-7/h3-6H,1-2H3/b5-3+
InChIKeyKQJLNFUOWDHIIS-HWKANZROSA-N
MW154.24 g/mol
LogP1.68
Rot. Bonds2

About (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine

(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine (PubChem CID 90120326) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine
PubChem CID90120326
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine
SMILESCN(C)/C=C/c1nccs1
InChIInChI=1S/C7H10N2S/c1-9(2)5-3-7-8-4-6-10-7/h3-6H,1-2H3/b5-3+
InChIKeyKQJLNFUOWDHIIS-HWKANZROSA-N
XLogP1.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine?
The IUPAC name of (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine (CID 90120326) is (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine?
The canonical SMILES for (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine is CN(C)/C=C/c1nccs1.
What is the InChIKey of (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine?
The InChIKey is KQJLNFUOWDHIIS-HWKANZROSA-N. The full InChI is InChI=1S/C7H10N2S/c1-9(2)5-3-7-8-4-6-10-7/h3-6H,1-2H3/b5-3+.
What are the key properties of (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine?
(E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine has a molecular weight of 154.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-(1,3-thiazol-2-yl)ethenamine is sourced from PubChem (CID 90120326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).