2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine

C24H19N3S — CID 163933385

IUPAC2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine
SMILESCCc1nc2c(nc1Nc1ccccc1-c1ccccc1)sc1ccccc12
InChIInChI=1S/C24H19N3S/c1-2-19-23(27-24-22(25-19)18-13-7-9-15-21(18)28-24)26-20-14-8-6-12-17(20)16-10-4-3-5-11-16/h3-15H,2H2,1H3,(H,26,27)
InChIKeyRKPWZEKWYNJDCT-UHFFFAOYSA-N
MW381.50 g/mol
LogP6.82
Rot. Bonds4

About 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine

2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine (PubChem CID 163933385) has the molecular formula C24H19N3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine
PubChem CID163933385
Molecular FormulaC24H19N3S
Molecular Weight381.50 g/mol
Exact Mass381.13
IUPAC Name2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine
SMILESCCc1nc2c(nc1Nc1ccccc1-c1ccccc1)sc1ccccc12
InChIInChI=1S/C24H19N3S/c1-2-19-23(27-24-22(25-19)18-13-7-9-15-21(18)28-24)26-20-14-8-6-12-17(20)16-10-4-3-5-11-16/h3-15H,2H2,1H3,(H,26,27)
InChIKeyRKPWZEKWYNJDCT-UHFFFAOYSA-N
XLogP6.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-N,4-N-bis(2-phenylphenyl)pyrimidine-2,4-diamine
CID 22060710
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
N-[4-[3-dibenzothiophen-4-yl-4-(naphthalen-1-ylamino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343304
6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
CID 155778424
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163617819
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-phenylaniline
CID 60982356
4-phenyl-2-[2-[2-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489942
N-[4-([1]benzothiolo[2,3-b]pyridin-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 166861208
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
benzene;N,2-diphenylaniline
CID 175029921
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
4-(4-phenylphenyl)-2-[2-[2-[4-(4-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[2,3-d]pyrimidine
CID 122489954

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine?
The IUPAC name of 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine (CID 163933385) is 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine.
What is the SMILES notation for 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine?
The canonical SMILES for 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine is CCc1nc2c(nc1Nc1ccccc1-c1ccccc1)sc1ccccc12.
What is the InChIKey of 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine?
The InChIKey is RKPWZEKWYNJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3S/c1-2-19-23(27-24-22(25-19)18-13-7-9-15-21(18)28-24)26-20-14-8-6-12-17(20)16-10-4-3-5-11-16/h3-15H,2H2,1H3,(H,26,27).
What are the key properties of 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine?
2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine has a molecular weight of 381.50 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-phenylphenyl)-[1]benzothiolo[2,3-b]pyrazin-3-amine is sourced from PubChem (CID 163933385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).