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

C17H15N3OS2 — CID 18894711

IUPAC2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1cccc(SC(C(=O)Nc2nccs2)c2ccccc2)c1
InChIInChI=1S/C17H15N3OS2/c18-13-7-4-8-14(11-13)23-15(12-5-2-1-3-6-12)16(21)20-17-19-9-10-22-17/h1-11,15H,18H2,(H,19,20,21)
InChIKeyWXVJRDCSVGOAQQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.20
Rot. Bonds5

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

2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 18894711) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID18894711
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
SMILESNc1cccc(SC(C(=O)Nc2nccs2)c2ccccc2)c1
InChIInChI=1S/C17H15N3OS2/c18-13-7-4-8-14(11-13)23-15(12-5-2-1-3-6-12)16(21)20-17-19-9-10-22-17/h1-11,15H,18H2,(H,19,20,21)
InChIKeyWXVJRDCSVGOAQQ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]butanamide
CID 18912469
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132899242
2-(3-aminophenyl)sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 18894384
2-(3-aminophenyl)sulfanyl-N-(3-chlorophenyl)-2-phenylacetamide
CID 18894387
(2S)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 40910484
(E)-N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 23096846
2-(3-aminophenyl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 18894515
2-phenyl-2-phenylsulfanyl-N-pyrimidin-2-ylacetamide
CID 5196122
N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]pentanamide
CID 22778346
8-[[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785173
5-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-2-hydroxybenzoic acid
CID 18894447
N-[(Z)-3-oxo-3-[3-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylanilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 19320801

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide (CID 18894711) is 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is Nc1cccc(SC(C(=O)Nc2nccs2)c2ccccc2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WXVJRDCSVGOAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c18-13-7-4-8-14(11-13)23-15(12-5-2-1-3-6-12)16(21)20-17-19-9-10-22-17/h1-11,15H,18H2,(H,19,20,21).
What are the key properties of 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide?
2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 341.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18894711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).