5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C14H19ClN4S — CID 120902160

IUPAC5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN1CCN(Cc2cnc(N)s2)c2ccccc21.Cl
InChIInChI=1S/C14H18N4S.ClH/c1-2-17-7-8-18(10-11-9-16-14(15)19-11)13-6-4-3-5-12(13)17;/h3-6,9H,2,7-8,10H2,1H3,(H2,15,16);1H
InChIKeyAQHXRYPDEZWDFM-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.99
Rot. Bonds3

About 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902160) has the molecular formula C14H19ClN4S and a molecular weight of 310.85 g/mol. Its IUPAC name is 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902160
Molecular FormulaC14H19ClN4S
Molecular Weight310.85 g/mol
Exact Mass310.10
IUPAC Name5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN1CCN(Cc2cnc(N)s2)c2ccccc21.Cl
InChIInChI=1S/C14H18N4S.ClH/c1-2-17-7-8-18(10-11-9-16-14(15)19-11)13-6-4-3-5-12(13)17;/h3-6,9H,2,7-8,10H2,1H3,(H2,15,16);1H
InChIKeyAQHXRYPDEZWDFM-UHFFFAOYSA-N
XLogP2.99
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902160) is 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CCN1CCN(Cc2cnc(N)s2)c2ccccc21.Cl.
What is the InChIKey of 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is AQHXRYPDEZWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S.ClH/c1-2-17-7-8-18(10-11-9-16-14(15)19-11)13-6-4-3-5-12(13)17;/h3-6,9H,2,7-8,10H2,1H3,(H2,15,16);1H.
What are the key properties of 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-2,3-dihydroquinoxalin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).