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

C12H12N4O2S — CID 82548064

IUPAC2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)Cc1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C12H12N4O2S/c13-8-3-1-7(2-4-8)11-15-9(6-19-11)5-10(17)16-12(14)18/h1-4,6H,5,13H2,(H3,14,16,17,18)
InChIKeyUSIVGFYAJNMHMP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.13
Rot. Bonds3

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

2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide (PubChem CID 82548064) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide
PubChem CID82548064
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)Cc1csc(-c2ccc(N)cc2)n1
InChIInChI=1S/C12H12N4O2S/c13-8-3-1-7(2-4-8)11-15-9(6-19-11)5-10(17)16-12(14)18/h1-4,6H,5,13H2,(H3,14,16,17,18)
InChIKeyUSIVGFYAJNMHMP-UHFFFAOYSA-N
XLogP1.13
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 82547973
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
1-methyl-3-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]urea
CID 86835778
ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide?
The IUPAC name of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide (CID 82548064) is 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide.
What is the SMILES notation for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide?
The canonical SMILES for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide is NC(=O)NC(=O)Cc1csc(-c2ccc(N)cc2)n1.
What is the InChIKey of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide?
The InChIKey is USIVGFYAJNMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-8-3-1-7(2-4-8)11-15-9(6-19-11)5-10(17)16-12(14)18/h1-4,6H,5,13H2,(H3,14,16,17,18).
What are the key properties of 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide?
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide has a molecular weight of 276.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-carbamoylacetamide is sourced from PubChem (CID 82548064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).