1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol

C14H17N3OS — CID 63777540

IUPAC1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCN(C)c3ccccc32)s1
InChIInChI=1S/C14H17N3OS/c1-10(18)13-9-15-14(19-13)17-8-7-16(2)11-5-3-4-6-12(11)17/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyWJMLRBUTYVPAMG-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.78
Rot. Bonds2

About 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 63777540) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID63777540
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCN(C)c3ccccc32)s1
InChIInChI=1S/C14H17N3OS/c1-10(18)13-9-15-14(19-13)17-8-7-16(2)11-5-3-4-6-12(11)17/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyWJMLRBUTYVPAMG-UHFFFAOYSA-N
XLogP2.78
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol (CID 63777540) is 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCN(C)c3ccccc32)s1.
What is the InChIKey of 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is WJMLRBUTYVPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(18)13-9-15-14(19-13)17-8-7-16(2)11-5-3-4-6-12(11)17/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 275.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 63777540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).