2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine

C20H17N3S2 — CID 126550812

IUPAC2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
SMILESCC(C)c1ccc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H17N3S2/c1-13(2)14-7-9-15(10-8-14)18-21-19(16-5-3-11-24-16)23-20(22-18)17-6-4-12-25-17/h3-13H,1-2H3
InChIKeyJBMCKMHLRBIKLT-UHFFFAOYSA-N
MW363.51 g/mol
LogP6.12
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine

2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine (PubChem CID 126550812) has the molecular formula C20H17N3S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
PubChem CID126550812
Molecular FormulaC20H17N3S2
Molecular Weight363.51 g/mol
Exact Mass363.09
IUPAC Name2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
SMILESCC(C)c1ccc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H17N3S2/c1-13(2)14-7-9-15(10-8-14)18-21-19(16-5-3-11-24-16)23-20(22-18)17-6-4-12-25-17/h3-13H,1-2H3
InChIKeyJBMCKMHLRBIKLT-UHFFFAOYSA-N
XLogP6.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 86005531
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
CID 102341987
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
CID 43336217
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 31659811
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
2-(3-propan-2-ylphenyl)thiophene
CID 57011596
2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine
CID 121315563
6-(4-propan-2-ylphenyl)-2-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one
CID 53142099
2-[7'-(4,6-dithiophen-2-yl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-dithiophen-2-yl-1,3,5-triazine
CID 58233283
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318
2-(3-fluoro-5-propan-2-ylphenyl)thiophene
CID 167222834

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine (CID 126550812) is 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine is CC(C)c1ccc(-c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
The InChIKey is JBMCKMHLRBIKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S2/c1-13(2)14-7-9-15(10-8-14)18-21-19(16-5-3-11-24-16)23-20(22-18)17-6-4-12-25-17/h3-13H,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine?
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine has a molecular weight of 363.51 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine is sourced from PubChem (CID 126550812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).