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

C11H11N3OS — CID 6471763

IUPACN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C11H11N3OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyUTECODUDYGFNTJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.35
Rot. Bonds2

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

N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 6471763) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID6471763
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(N)c2)cs1
InChIInChI=1S/C11H11N3OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyUTECODUDYGFNTJ-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide (CID 6471763) is N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(N)c2)cs1.
What is the InChIKey of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UTECODUDYGFNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7(15)13-11-14-10(6-16-11)8-3-2-4-9(12)5-8/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 233.30 g/mol, XLogP of 2.35, 2 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]acetamide is sourced from PubChem (CID 6471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).