2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide

C25H19N5OS — CID 108770555

IUPAC2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)cc2nc1C
InChIInChI=1S/C25H19N5OS/c1-15-16(2)28-22-12-18(8-9-21(22)27-15)24(31)29-20-7-3-5-17(11-20)23-14-32-25(30-23)19-6-4-10-26-13-19/h3-14H,1-2H3,(H,29,31)
InChIKeyUFSYTFGATQLENP-UHFFFAOYSA-N
MW437.53 g/mol
LogP5.68
Rot. Bonds4

About 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide (PubChem CID 108770555) has the molecular formula C25H19N5OS and a molecular weight of 437.53 g/mol. Its IUPAC name is 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
PubChem CID108770555
Molecular FormulaC25H19N5OS
Molecular Weight437.53 g/mol
Exact Mass437.13
IUPAC Name2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)cc2nc1C
InChIInChI=1S/C25H19N5OS/c1-15-16(2)28-22-12-18(8-9-21(22)27-15)24(31)29-20-7-3-5-17(11-20)23-14-32-25(30-23)19-6-4-10-26-13-19/h3-14H,1-2H3,(H,29,31)
InChIKeyUFSYTFGATQLENP-UHFFFAOYSA-N
XLogP5.68
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.53
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-3-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748555
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748751
2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108748606
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
4-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770359
methyl 3-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate
CID 80555016
6-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108748545
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
4-bromo-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748532

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide (CID 108770555) is 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc(-c4csc(-c5cccnc5)n4)c3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is UFSYTFGATQLENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5OS/c1-15-16(2)28-22-12-18(8-9-21(22)27-15)24(31)29-20-7-3-5-17(11-20)23-14-32-25(30-23)19-6-4-10-26-13-19/h3-14H,1-2H3,(H,29,31).
What are the key properties of 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 108770555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).