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

C18H17N3OS — CID 82154910

IUPAC2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2nc(-c3cccc(N)c3)cs2)c1
InChIInChI=1S/C18H17N3OS/c1-12-4-2-7-15(8-12)20-17(22)10-18-21-16(11-23-18)13-5-3-6-14(19)9-13/h2-9,11H,10,19H2,1H3,(H,20,22)
InChIKeyARRJZRQIAQATIF-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds4

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

2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 82154910) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID82154910
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2nc(-c3cccc(N)c3)cs2)c1
InChIInChI=1S/C18H17N3OS/c1-12-4-2-7-15(8-12)20-17(22)10-18-21-16(11-23-18)13-5-3-6-14(19)9-13/h2-9,11H,10,19H2,1H3,(H,20,22)
InChIKeyARRJZRQIAQATIF-UHFFFAOYSA-N
XLogP3.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.88
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-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
N-(3-methylphenyl)-2-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9343920
2-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964545
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
2-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 8964637
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-phenylacetamide
CID 28865111
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-[4-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24603190
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 2213605
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 82154910) is 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2nc(-c3cccc(N)c3)cs2)c1.
What is the InChIKey of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is ARRJZRQIAQATIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-4-2-7-15(8-12)20-17(22)10-18-21-16(11-23-18)13-5-3-6-14(19)9-13/h2-9,11H,10,19H2,1H3,(H,20,22).
What are the key properties of 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 82154910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).