N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide

C24H21N3OS — CID 28861500

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
SMILESNc1cccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C24H21N3OS/c25-20-13-7-12-19(14-20)22-16-29-24(26-22)27-23(28)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,16,21H,15,25H2,(H,26,27,28)
InChIKeyOHKVIAGRUBEKOF-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.55
Rot. Bonds6

About N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide (PubChem CID 28861500) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
PubChem CID28861500
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
SMILESNc1cccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c1
InChIInChI=1S/C24H21N3OS/c25-20-13-7-12-19(14-20)22-16-29-24(26-22)27-23(28)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,16,21H,15,25H2,(H,26,27,28)
InChIKeyOHKVIAGRUBEKOF-UHFFFAOYSA-N
XLogP5.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
8-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoic acid
CID 53323224
[4-(3-aminophenyl)-1,3-thiazol-2-yl]urea
CID 43551246
(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 2039739
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 62056845
2-(3-aminophenyl)sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 18894483
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
[4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl] N-tert-butylcarbamate;methanol
CID 176652783
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide (CID 28861500) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide is Nc1cccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The InChIKey is OHKVIAGRUBEKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c25-20-13-7-12-19(14-20)22-16-29-24(26-22)27-23(28)15-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-14,16,21H,15,25H2,(H,26,27,28).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide has a molecular weight of 399.52 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 28861500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).