4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide

C17H13N5O4S3 — CID 175872110

IUPAC4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
SMILESCc1cc(N)ccc1S(=O)(=O)c1nnc(-c2c(-c3ccsc3)noc2C(N)=O)s1
InChIInChI=1S/C17H13N5O4S3/c1-8-6-10(18)2-3-11(8)29(24,25)17-21-20-16(28-17)12-13(9-4-5-27-7-9)22-26-14(12)15(19)23/h2-7H,18H2,1H3,(H2,19,23)
InChIKeyWMLDVUBOSRXEGO-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.74
Rot. Bonds5

About 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide

4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 175872110) has the molecular formula C17H13N5O4S3 and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
PubChem CID175872110
Molecular FormulaC17H13N5O4S3
Molecular Weight447.52 g/mol
Exact Mass447.01
IUPAC Name4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide
SMILESCc1cc(N)ccc1S(=O)(=O)c1nnc(-c2c(-c3ccsc3)noc2C(N)=O)s1
InChIInChI=1S/C17H13N5O4S3/c1-8-6-10(18)2-3-11(8)29(24,25)17-21-20-16(28-17)12-13(9-4-5-27-7-9)22-26-14(12)15(19)23/h2-7H,18H2,1H3,(H2,19,23)
InChIKeyWMLDVUBOSRXEGO-UHFFFAOYSA-N
XLogP2.74
TPSA155.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[5-(4-amino-2-methylphenyl)sulfonyl-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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide (CID 175872110) is 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide is Cc1cc(N)ccc1S(=O)(=O)c1nnc(-c2c(-c3ccsc3)noc2C(N)=O)s1.
What is the InChIKey of 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is WMLDVUBOSRXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S3/c1-8-6-10(18)2-3-11(8)29(24,25)17-21-20-16(28-17)12-13(9-4-5-27-7-9)22-26-14(12)15(19)23/h2-7H,18H2,1H3,(H2,19,23).
What are the key properties of 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide?
4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-2-methylphenyl)sulfonyl-1,3,4-thiadiazol-2-yl]-3-thiophen-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 175872110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).