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

C17H15N3OS2 — CID 1173261

IUPAC2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H15N3OS2/c18-13-8-4-5-9-15(13)22-11-16(21)20-17-19-14(10-23-17)12-6-2-1-3-7-12/h1-10H,11,18H2,(H,19,20,21)
InChIKeyFYDAFIHEDUGSBJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.12
Rot. Bonds5

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

2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1173261) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1173261
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESNc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H15N3OS2/c18-13-8-4-5-9-15(13)22-11-16(21)20-17-19-14(10-23-17)12-6-2-1-3-7-12/h1-10H,11,18H2,(H,19,20,21)
InChIKeyFYDAFIHEDUGSBJ-UHFFFAOYSA-N
XLogP4.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1173261) is 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Nc1ccccc1SCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FYDAFIHEDUGSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c18-13-8-4-5-9-15(13)22-11-16(21)20-17-19-14(10-23-17)12-6-2-1-3-7-12/h1-10H,11,18H2,(H,19,20,21).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1173261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).