phenyl 5-methylthiadiazole-4-carboxylate

C10H8N2O2S — CID 141237809

IUPACphenyl 5-methylthiadiazole-4-carboxylate
SMILESCc1snnc1C(=O)Oc1ccccc1
InChIInChI=1S/C10H8N2O2S/c1-7-9(11-12-15-7)10(13)14-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyONEZILKUMLXNSL-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.07
Rot. Bonds2

About phenyl 5-methylthiadiazole-4-carboxylate

phenyl 5-methylthiadiazole-4-carboxylate (PubChem CID 141237809) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is phenyl 5-methylthiadiazole-4-carboxylate.

Molecular Properties

Compound Namephenyl 5-methylthiadiazole-4-carboxylate
PubChem CID141237809
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Namephenyl 5-methylthiadiazole-4-carboxylate
SMILESCc1snnc1C(=O)Oc1ccccc1
InChIInChI=1S/C10H8N2O2S/c1-7-9(11-12-15-7)10(13)14-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyONEZILKUMLXNSL-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phenyl 5-methylthiadiazole-4-carboxylate 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

phenyl 5-(bromomethyl)thiadiazole-4-carboxylate
CID 141237816
4-(3-hydroxyphenoxy)carbonylthiadiazole-5-carboxylic acid
CID 117214946
phenyl 4-[4-methyl-5-(4-phenoxycarbonylphenyl)-1,2,4-triazol-3-yl]benzoate
CID 154425168
5-(3-fluorophenoxy)carbonylthiadiazole-4-carboxylic acid
CID 117214763
(4-chlorophenyl) 4-benzylthiadiazole-5-carboxylate
CID 155775886
phenyl 5,6-dimethylpyridine-2-carboxylate
CID 102198426
diphenyl oxalate;ethane
CID 162013592
phenyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
CID 23361835
phenyl 3-hydroxy-5-methylthiophene-2-carboxylate
CID 86164411
phenyl 4-amino-1,2-thiazole-5-carboxylate
CID 117218836
phenyl 2,6-di(propan-2-yl)benzoate
CID 175162380
2-O-(3,5-dimethylphenyl) 1-O-phenyl benzene-1,2-dicarboxylate
CID 6425517

Frequently Asked Questions

What is the IUPAC name of phenyl 5-methylthiadiazole-4-carboxylate?
The IUPAC name of phenyl 5-methylthiadiazole-4-carboxylate (CID 141237809) is phenyl 5-methylthiadiazole-4-carboxylate.
What is the SMILES notation for phenyl 5-methylthiadiazole-4-carboxylate?
The canonical SMILES for phenyl 5-methylthiadiazole-4-carboxylate is Cc1snnc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 5-methylthiadiazole-4-carboxylate?
The InChIKey is ONEZILKUMLXNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-7-9(11-12-15-7)10(13)14-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of phenyl 5-methylthiadiazole-4-carboxylate?
phenyl 5-methylthiadiazole-4-carboxylate has a molecular weight of 220.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-methylthiadiazole-4-carboxylate is sourced from PubChem (CID 141237809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).