1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide

C15H16N4O2S — CID 146128564

IUPAC1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC1C(=O)Nc2cc(C(=O)NCc3nccs3)ccc2N1C
InChIInChI=1S/C15H16N4O2S/c1-9-14(20)18-11-7-10(3-4-12(11)19(9)2)15(21)17-8-13-16-5-6-22-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyXIVZTSIZCOUWCL-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.85
Rot. Bonds3

About 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide

1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 146128564) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID146128564
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC1C(=O)Nc2cc(C(=O)NCc3nccs3)ccc2N1C
InChIInChI=1S/C15H16N4O2S/c1-9-14(20)18-11-7-10(3-4-12(11)19(9)2)15(21)17-8-13-16-5-6-22-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyXIVZTSIZCOUWCL-UHFFFAOYSA-N
XLogP1.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 110485474
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 120887081
N,1,2-trimethyl-3-oxo-N-(2-pyridin-4-ylethyl)-2,4-dihydroquinoxaline-6-carboxamide
CID 146090860
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
4-bromo-3-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103872542
4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 60773800
4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
N-(1,3-thiazol-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905804
N-(1,3-thiazol-2-ylmethyl)isoquinoline-6-carboxamide
CID 110485103
2-methyl-3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzoxazine-6-carboxamide
CID 110683129
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110486058
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide (CID 146128564) is 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide is CC1C(=O)Nc2cc(C(=O)NCc3nccs3)ccc2N1C.
What is the InChIKey of 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is XIVZTSIZCOUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-14(20)18-11-7-10(3-4-12(11)19(9)2)15(21)17-8-13-16-5-6-22-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-oxo-N-(1,3-thiazol-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 146128564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).