N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide

C11H8N4O2S3 — CID 171781557

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(NC(=O)c2cc(-c3ccsc3)no2)s1
InChIInChI=1S/C11H8N4O2S3/c1-18-11-14-13-10(20-11)12-9(16)8-4-7(15-17-8)6-2-3-19-5-6/h2-5H,1H3,(H,12,13,16)
InChIKeyWGHLOZRPXZANKG-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.23
Rot. Bonds4

About N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 171781557) has the molecular formula C11H8N4O2S3 and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
PubChem CID171781557
Molecular FormulaC11H8N4O2S3
Molecular Weight324.41 g/mol
Exact Mass323.98
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
SMILESCSc1nnc(NC(=O)c2cc(-c3ccsc3)no2)s1
InChIInChI=1S/C11H8N4O2S3/c1-18-11-14-13-10(20-11)12-9(16)8-4-7(15-17-8)6-2-3-19-5-6/h2-5H,1H3,(H,12,13,16)
InChIKeyWGHLOZRPXZANKG-UHFFFAOYSA-N
XLogP3.23
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide 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

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585430
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
CID 53143253
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 121029454
3-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 175872108
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 7092391
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
CID 175872125
2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143283
5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
CID 53143297
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-7-oxo-5,6-dihydro-4H-2,1-benzoxazole-3-carboxamide
CID 171781527

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide (CID 171781557) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide is CSc1nnc(NC(=O)c2cc(-c3ccsc3)no2)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is WGHLOZRPXZANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S3/c1-18-11-14-13-10(20-11)12-9(16)8-4-7(15-17-8)6-2-3-19-5-6/h2-5H,1H3,(H,12,13,16).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-thiophen-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 171781557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).