2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine

C14H14N4S — CID 79154274

IUPAC2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(-c2ccc3nccnc3c2)sc1CCN
InChIInChI=1S/C14H14N4S/c1-9-13(4-5-15)19-14(18-9)10-2-3-11-12(8-10)17-7-6-16-11/h2-3,6-8H,4-5,15H2,1H3
InChIKeyHKNAMIWNCRVKCZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.56
Rot. Bonds3

About 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine

2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 79154274) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID79154274
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(-c2ccc3nccnc3c2)sc1CCN
InChIInChI=1S/C14H14N4S/c1-9-13(4-5-15)19-14(18-9)10-2-3-11-12(8-10)17-7-6-16-11/h2-3,6-8H,4-5,15H2,1H3
InChIKeyHKNAMIWNCRVKCZ-UHFFFAOYSA-N
XLogP2.56
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine (CID 79154274) is 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine is Cc1nc(-c2ccc3nccnc3c2)sc1CCN.
What is the InChIKey of 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HKNAMIWNCRVKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9-13(4-5-15)19-14(18-9)10-2-3-11-12(8-10)17-7-6-16-11/h2-3,6-8H,4-5,15H2,1H3.
What are the key properties of 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine?
2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 79154274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).