(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide

C24H19N5S — CID 95789496

IUPAC(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
SMILESS=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc12
InChIInChI=1S/C24H19N5S/c30-24(27-18-10-5-2-6-11-18)29-22(16-21(28-29)17-8-3-1-4-9-17)19-12-7-13-20-23(19)26-15-14-25-20/h1-15,22H,16H2,(H,27,30)/t22-/m0/s1
InChIKeyVSJNAZFDHLMHDM-QFIPXVFZSA-N
MW409.52 g/mol
LogP5.18
Rot. Bonds3

About (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide

(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide (PubChem CID 95789496) has the molecular formula C24H19N5S and a molecular weight of 409.52 g/mol. Its IUPAC name is (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide.

Molecular Properties

Compound Name(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
PubChem CID95789496
Molecular FormulaC24H19N5S
Molecular Weight409.52 g/mol
Exact Mass409.14
IUPAC Name(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
SMILESS=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc12
InChIInChI=1S/C24H19N5S/c30-24(27-18-10-5-2-6-11-18)29-22(16-21(28-29)17-8-3-1-4-9-17)19-12-7-13-20-23(19)26-15-14-25-20/h1-15,22H,16H2,(H,27,30)/t22-/m0/s1
InChIKeyVSJNAZFDHLMHDM-QFIPXVFZSA-N
XLogP5.18
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-phenyl-N-(2-phenylethyl)-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
CID 95789502
3-(2-methoxyphenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 3283633
(3R)-5-(4-methoxyphenyl)-N-(2-phenylethyl)-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide
CID 95789485
(3S)-3-(4-bromophenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 25333821
5-(2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl)quinoxaline
CID 47062340
N-(4-methylphenyl)-3-[4-[2-[(4-methylphenyl)carbamothioyl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 25197680
(3R)-3-(4-methoxyphenyl)-N,5-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 7087817
4-[(3S)-5-(4-methylphenyl)-3-quinoxalin-5-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 95789605
(3R)-5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide
CID 1330298
5-(4-methoxyphenyl)-3-(2-nitrophenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 102564237
3-(furan-2-yl)-5-(4-methylphenyl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 2952207
(3S)-5-(4-bromophenyl)-3-(furan-2-yl)-N-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 41084633

Frequently Asked Questions

What is the IUPAC name of (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide?
The IUPAC name of (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide (CID 95789496) is (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide.
What is the SMILES notation for (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide?
The canonical SMILES for (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide is S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc12.
What is the InChIKey of (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide?
The InChIKey is VSJNAZFDHLMHDM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H19N5S/c30-24(27-18-10-5-2-6-11-18)29-22(16-21(28-29)17-8-3-1-4-9-17)19-12-7-13-20-23(19)26-15-14-25-20/h1-15,22H,16H2,(H,27,30)/t22-/m0/s1.
What are the key properties of (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide?
(3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide has a molecular weight of 409.52 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,5-diphenyl-3-quinoxalin-5-yl-3,4-dihydropyrazole-2-carbothioamide is sourced from PubChem (CID 95789496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).