N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide

C23H21N3OS2 — CID 71818244

IUPACN-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](c3ccccc3)CS2)cc1
InChIInChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1
InChIKeyGMJBHVCHBXJWGH-OAQYLSRUSA-N
MW419.58 g/mol
LogP5.60
Rot. Bonds5

About N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide

N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide (PubChem CID 71818244) has the molecular formula C23H21N3OS2 and a molecular weight of 419.58 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide
PubChem CID71818244
Molecular FormulaC23H21N3OS2
Molecular Weight419.58 g/mol
Exact Mass419.11
IUPAC NameN-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](c3ccccc3)CS2)cc1
InChIInChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1
InChIKeyGMJBHVCHBXJWGH-OAQYLSRUSA-N
XLogP5.60
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.58
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide 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

N-(2-aminophenyl)-4-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 135869606
[4-[(2-Aminophenyl)carbamoyl]phenyl]methyl 4-phenylpiperazine-1-carbodithioate
CID 145986415
[4-[(2-aminophenyl)carbamoyl]phenyl]methyl 3,4-dihydro-1H-isoquinoline-2-carbodithioate
CID 145988041
N-(2-aminophenyl)-4-((4-(thiophen-2-yl)benzylamino)methyl)benzamide
CID 46906692
N-(2-aminophenyl)-4-[[[(5R)-5-phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino]methyl]benzamide
CID 71818097
N-(2-aminophenyl)-4-[[[(5S)-5-phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino]methyl]benzamide
CID 71818098
N-(2-aminophenyl)-4-[[(4S)-4-benzyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide
CID 71818242
N-(2-aminophenyl)-4-[[(5S)-5-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]benzamide
CID 122186484
N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
CID 122186485
N-(2-aminophenyl)-4-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]sulfanylmethyl]benzamide
CID 122186544
N-(2-Aminophenyl)-4-[[[(4S)-4,5-dihydro-4-phenyl-2-thiazolyl]amino]methyl]-benzamide
CID 136239447
N-(2-aminophenyl)-4-[[[(4R)-4-phenyl-1,3-thiazolidin-2-ylidene]amino]methyl]benzamide
CID 136244081

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide (CID 71818244) is N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CSC2=N[C@@H](c3ccccc3)CS2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide?
The InChIKey is GMJBHVCHBXJWGH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21N3OS2/c24-19-8-4-5-9-20(19)25-22(27)18-12-10-16(11-13-18)14-28-23-26-21(15-29-23)17-6-2-1-3-7-17/h1-13,21H,14-15,24H2,(H,25,27)/t21-/m1/s1.
What are the key properties of N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide?
N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide has a molecular weight of 419.58 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 71818244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).