3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine

C23H18N2S — CID 134549906

IUPAC3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine
SMILESCc1ccc(-c2nc3sc4c(c3nc2-c2ccccc2)C=CCC4)cc1
InChIInChI=1S/C23H18N2S/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)24-22-18-9-5-6-10-19(18)26-23(22)25-21/h2-5,7-9,11-14H,6,10H2,1H3
InChIKeyGAXJCHZDRUUJPQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP6.29
Rot. Bonds2

About 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine

3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 134549906) has the molecular formula C23H18N2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine
PubChem CID134549906
Molecular FormulaC23H18N2S
Molecular Weight354.48 g/mol
Exact Mass354.12
IUPAC Name3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine
SMILESCc1ccc(-c2nc3sc4c(c3nc2-c2ccccc2)C=CCC4)cc1
InChIInChI=1S/C23H18N2S/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)24-22-18-9-5-6-10-19(18)26-23(22)25-21/h2-5,7-9,11-14H,6,10H2,1H3
InChIKeyGAXJCHZDRUUJPQ-UHFFFAOYSA-N
XLogP6.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenyl-7,8-dihydroquinazoline
CID 135178820
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
7-phenyl-3,4-dihydrodibenzothiophene
CID 167310595
2-[3-(11,11-dimethyl-1,2-dihydrobenzo[b]fluoren-7-yl)phenyl]-3-phenyl-[1]benzothiolo[2,3-b]pyrazine
CID 163905346
3-tert-butyl-2-[3-(6,7-dihydrodibenzothiophen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88905839
7,8-dihydro-[1]benzothiolo[2,3-b]pyridine
CID 152942948
5-[4-[4-(4-dibenzofuran-3-ylnaphthalen-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-9,10-dihydro-[1]benzothiolo[3,2-c]isoquinoline
CID 155019060
2-chloro-4-(4-phenylphenyl)-8,9-dihydro-[1]benzothiolo[3,2-d]pyrimidine
CID 146491036
2-chloro-4-phenyl-7,8-dihydroquinazoline
CID 142568227
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine (CID 134549906) is 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine is Cc1ccc(-c2nc3sc4c(c3nc2-c2ccccc2)C=CCC4)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is GAXJCHZDRUUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2S/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)24-22-18-9-5-6-10-19(18)26-23(22)25-21/h2-5,7-9,11-14H,6,10H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine?
3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 354.48 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-phenyl-6,7-dihydro-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 134549906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).