4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline

C16H15N3S — CID 13257556

IUPAC4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline
SMILESCN1c2ccccc2NC2SC(c3ccccc3)=NC21
InChIInChI=1S/C16H15N3S/c1-19-13-10-6-5-9-12(13)17-16-14(19)18-15(20-16)11-7-3-2-4-8-11/h2-10,14,16-17H,1H3
InChIKeyXUMJIWDSLCUDED-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.39
Rot. Bonds1

About 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline

4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline (PubChem CID 13257556) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline.

Molecular Properties

Compound Name4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline
PubChem CID13257556
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline
SMILESCN1c2ccccc2NC2SC(c3ccccc3)=NC21
InChIInChI=1S/C16H15N3S/c1-19-13-10-6-5-9-12(13)17-16-14(19)18-15(20-16)11-7-3-2-4-8-11/h2-10,14,16-17H,1H3
InChIKeyXUMJIWDSLCUDED-UHFFFAOYSA-N
XLogP3.39
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,3-dimethyl-1,2-dihydrobenzimidazole
CID 134369206
3-methyl-2-propan-2-yl-1,2-dihydrobenzimidazole
CID 130205094
(3R,3aR,9aS)-2-ethoxy-4-methyl-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxaline
CID 12704727
(3aS,7aR)-2-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole
CID 12652751
iridium;bis(2-phenyl-3a,7a-dihydro-1,3-benzothiazole)
CID 58725428
3-tert-butyl-2-methyl-1,2-dihydrobenzimidazole
CID 123440292
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
1-methyl-2-[2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)ethenyl]benzimidazole
CID 59063246
3-methyl-N-(4-methyl-3-pyridinyl)-1,2-dihydrobenzimidazol-2-amine
CID 141028954
2,4-dimethyl-2,3-dihydro-1H-quinoxaline;ethane
CID 156796613
4-phenyl-2,6-di(propan-2-yl)-6H-1,3,5-oxathiazine
CID 139218762
[(Z)-2-(3-methyl-1,2-dihydrobenzimidazol-2-yl)-1-phenylethenyl] (E)-but-2-enoate
CID 142205996

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline?
The IUPAC name of 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline (CID 13257556) is 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline.
What is the SMILES notation for 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline?
The canonical SMILES for 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline is CN1c2ccccc2NC2SC(c3ccccc3)=NC21.
What is the InChIKey of 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline?
The InChIKey is XUMJIWDSLCUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-19-13-10-6-5-9-12(13)17-16-14(19)18-15(20-16)11-7-3-2-4-8-11/h2-10,14,16-17H,1H3.
What are the key properties of 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline?
4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline has a molecular weight of 281.38 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-9,9a-dihydro-3aH-[1,3]thiazolo[5,4-b]quinoxaline is sourced from PubChem (CID 13257556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).