N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide

C17H13N3O2S2 — CID 108515122

IUPACN-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(Nc1nccs1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H13N3O2S2/c21-15(16(22)20-17-18-10-11-23-17)19-13-8-4-5-9-14(13)24-12-6-2-1-3-7-12/h1-11H,(H,19,21)(H,18,20,22)
InChIKeyOUYOMJANFFPCCO-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds4

About N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 108515122) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID108515122
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC NameN-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(Nc1nccs1)C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C17H13N3O2S2/c21-15(16(22)20-17-18-10-11-23-17)19-13-8-4-5-9-14(13)24-12-6-2-1-3-7-12/h1-11H,(H,19,21)(H,18,20,22)
InChIKeyOUYOMJANFFPCCO-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 59732727
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-(1,3-thiazol-2-ylamino)prop-2-enamide
CID 108857108
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732885
N'-(3,5-dichlorophenyl)-N-(2-phenylsulfanylphenyl)oxamide
CID 108515224
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
2-benzylsulfanyl-5-phenylsulfanyl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 26820996
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
N-(4-nitrophenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108513105
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 108515122) is N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide is O=C(Nc1nccs1)C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is OUYOMJANFFPCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S2/c21-15(16(22)20-17-18-10-11-23-17)19-13-8-4-5-9-14(13)24-12-6-2-1-3-7-12/h1-11H,(H,19,21)(H,18,20,22).
What are the key properties of N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 355.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylphenyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108515122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).