4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid

C10H8N2O3S — CID 28948361

IUPAC4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nnsc2C(=O)O)cc1
InChIInChI=1S/C10H8N2O3S/c1-15-7-4-2-6(3-5-7)8-9(10(13)14)16-12-11-8/h2-5H,1H3,(H,13,14)
InChIKeyYUHQKIIRZUXIOT-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.91
Rot. Bonds3

About 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid

4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid (PubChem CID 28948361) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
PubChem CID28948361
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nnsc2C(=O)O)cc1
InChIInChI=1S/C10H8N2O3S/c1-15-7-4-2-6(3-5-7)8-9(10(13)14)16-12-11-8/h2-5H,1H3,(H,13,14)
InChIKeyYUHQKIIRZUXIOT-UHFFFAOYSA-N
XLogP1.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
[4-(4-methoxyphenyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 45492013
4-(4-methoxyphenyl)-N-methyl-N-phenylthiadiazole-5-carboxamide
CID 100775104
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603
4-(3,4-dimethylphenyl)thiadiazole-5-carboxylic acid
CID 65207594
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505
methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-methylbutanoate
CID 45495391
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
N-[2-(4-methoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45495678
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
methyl (2R)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-phenylpropanoate
CID 71844012
4-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]thiadiazole-5-carboxamide
CID 100747726

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid (CID 28948361) is 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid is COc1ccc(-c2nnsc2C(=O)O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid?
The InChIKey is YUHQKIIRZUXIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-15-7-4-2-6(3-5-7)8-9(10(13)14)16-12-11-8/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid?
4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 28948361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).