4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione

C19H15N3S2 — CID 90670224

IUPAC4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione
SMILESCc1ccc(-c2cc3c(N)sc(=S)nc3n2-c2ccccc2)cc1
InChIInChI=1S/C19H15N3S2/c1-12-7-9-13(10-8-12)16-11-15-17(20)24-19(23)21-18(15)22(16)14-5-3-2-4-6-14/h2-11H,20H2,1H3
InChIKeyLYYNLCDPAHUNGF-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.37
Rot. Bonds2

About 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione

4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione (PubChem CID 90670224) has the molecular formula C19H15N3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione.

Molecular Properties

Compound Name4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione
PubChem CID90670224
Molecular FormulaC19H15N3S2
Molecular Weight349.48 g/mol
Exact Mass349.07
IUPAC Name4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione
SMILESCc1ccc(-c2cc3c(N)sc(=S)nc3n2-c2ccccc2)cc1
InChIInChI=1S/C19H15N3S2/c1-12-7-9-13(10-8-12)16-11-15-17(20)24-19(23)21-18(15)22(16)14-5-3-2-4-6-14/h2-11H,20H2,1H3
InChIKeyLYYNLCDPAHUNGF-UHFFFAOYSA-N
XLogP5.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
1,2-bis(4-methylphenyl)indole
CID 151814608
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
4,9,14-tris(3-methylphenyl)-3,8,13-triphenyl-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 139258312
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
1,3-dimethyl-6-(4-methylphenyl)-5-phenylpyrrolo[3,2-d]pyrimidine-2,4-dione
CID 175665080
3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole;2-(3,5-dimethylphenyl)-5-(4-methylphenyl)thiophene
CID 157335252
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
3-[9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597211
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione?
The IUPAC name of 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione (CID 90670224) is 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione.
What is the SMILES notation for 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione?
The canonical SMILES for 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione is Cc1ccc(-c2cc3c(N)sc(=S)nc3n2-c2ccccc2)cc1.
What is the InChIKey of 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione?
The InChIKey is LYYNLCDPAHUNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S2/c1-12-7-9-13(10-8-12)16-11-15-17(20)24-19(23)21-18(15)22(16)14-5-3-2-4-6-14/h2-11H,20H2,1H3.
What are the key properties of 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione?
4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione has a molecular weight of 349.48 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-methylphenyl)-7-phenylpyrrolo[2,3-d][1,3]thiazine-2-thione is sourced from PubChem (CID 90670224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).