3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine

C23H15ClN4S — CID 108772125

IUPAC3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H15ClN4S/c24-21-22(27-19-9-5-4-8-18(19)26-21)25-17-12-10-15(11-13-17)20-14-29-23(28-20)16-6-2-1-3-7-16/h1-14H,(H,25,27)
InChIKeyGQZVSPMJFGIMNU-UHFFFAOYSA-N
MW414.92 g/mol
LogP6.82
Rot. Bonds4

About 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine

3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine (PubChem CID 108772125) has the molecular formula C23H15ClN4S and a molecular weight of 414.92 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine
PubChem CID108772125
Molecular FormulaC23H15ClN4S
Molecular Weight414.92 g/mol
Exact Mass414.07
IUPAC Name3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H15ClN4S/c24-21-22(27-19-9-5-4-8-18(19)26-21)25-17-12-10-15(11-13-17)20-14-29-23(28-20)16-6-2-1-3-7-16/h1-14H,(H,25,27)
InChIKeyGQZVSPMJFGIMNU-UHFFFAOYSA-N
XLogP6.82
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 108775820
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine
CID 108771451
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112
3-N-(3-chloroquinoxalin-2-yl)-1-N-(2-methyl-6-phenylpyrimidin-4-yl)benzene-1,3-diamine
CID 108775255
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
1-(2-hydroxyethyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557966
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine (CID 108772125) is 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine is Clc1nc2ccccc2nc1Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine?
The InChIKey is GQZVSPMJFGIMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4S/c24-21-22(27-19-9-5-4-8-18(19)26-21)25-17-12-10-15(11-13-17)20-14-29-23(28-20)16-6-2-1-3-7-16/h1-14H,(H,25,27).
What are the key properties of 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine?
3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine has a molecular weight of 414.92 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 108772125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).