4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole

C19H15N3S — CID 70648610

IUPAC4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(CCc3cnc4ccccc4n3)n2)cc1
InChIInChI=1S/C19H15N3S/c1-2-6-14(7-3-1)18-13-23-19(22-18)11-10-15-12-20-16-8-4-5-9-17(16)21-15/h1-9,12-13H,10-11H2
InChIKeyJPGZJYPBHKYPNO-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.54
Rot. Bonds4

About 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole

4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole (PubChem CID 70648610) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole
PubChem CID70648610
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(CCc3cnc4ccccc4n3)n2)cc1
InChIInChI=1S/C19H15N3S/c1-2-6-14(7-3-1)18-13-23-19(22-18)11-10-15-12-20-16-8-4-5-9-17(16)21-15/h1-9,12-13H,10-11H2
InChIKeyJPGZJYPBHKYPNO-UHFFFAOYSA-N
XLogP4.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-Thienyl)quinoxaline
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4-(3-Methylphenyl)-5-(1,5-Naphthyridin-2-Yl)-1,3-Thiazol-2-Amine
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4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
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4-(4-Fluorophenyl)-5-(1,5-naphthyridin-2-yl)thiazol-2-amine
CID 11290221
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazole
CID 10087576
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyrazin-2-yl)thiazole
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5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
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CID 44571365

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole (CID 70648610) is 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole is c1ccc(-c2csc(CCc3cnc4ccccc4n3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole?
The InChIKey is JPGZJYPBHKYPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c1-2-6-14(7-3-1)18-13-23-19(22-18)11-10-15-12-20-16-8-4-5-9-17(16)21-15/h1-9,12-13H,10-11H2.
What are the key properties of 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole?
4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole has a molecular weight of 317.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(2-quinoxalin-2-ylethyl)-1,3-thiazole is sourced from PubChem (CID 70648610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).