N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C12H13N3OS — CID 110483632

IUPACN-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(N)cc2)cs1
InChIInChI=1S/C12H13N3OS/c1-8-14-11(7-17-8)6-12(16)15-10-4-2-9(13)3-5-10/h2-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyYLFYZNPHJHBQMP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.21
Rot. Bonds3

About N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 110483632) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID110483632
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2ccc(N)cc2)cs1
InChIInChI=1S/C12H13N3OS/c1-8-14-11(7-17-8)6-12(16)15-10-4-2-9(13)3-5-10/h2-5,7H,6,13H2,1H3,(H,15,16)
InChIKeyYLFYZNPHJHBQMP-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 86998526
2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 134063109
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026123
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
N-(4-methoxy-3-sulfamoylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4786526
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 37038934
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 110483632) is N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2ccc(N)cc2)cs1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YLFYZNPHJHBQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-14-11(7-17-8)6-12(16)15-10-4-2-9(13)3-5-10/h2-5,7H,6,13H2,1H3,(H,15,16).
What are the key properties of N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110483632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).