5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid

C9H7N3O3S2 — CID 115577507

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1nnc(NC(=O)c2ccc(C(=O)O)s2)s1
InChIInChI=1S/C9H7N3O3S2/c1-4-11-12-9(16-4)10-7(13)5-2-3-6(17-5)8(14)15/h2-3H,1H3,(H,14,15)(H,10,12,13)
InChIKeyACEPAUBXWCIVAM-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.86
Rot. Bonds3

About 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid

5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid (PubChem CID 115577507) has the molecular formula C9H7N3O3S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
PubChem CID115577507
Molecular FormulaC9H7N3O3S2
Molecular Weight269.31 g/mol
Exact Mass268.99
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
SMILESCc1nnc(NC(=O)c2ccc(C(=O)O)s2)s1
InChIInChI=1S/C9H7N3O3S2/c1-4-11-12-9(16-4)10-7(13)5-2-3-6(17-5)8(14)15/h2-3H,1H3,(H,14,15)(H,10,12,13)
InChIKeyACEPAUBXWCIVAM-UHFFFAOYSA-N
XLogP1.86
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5,6-dimethyl-1,2,4-triazin-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 114388882
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 47099211
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546952
6-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 115599468

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid (CID 115577507) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid is Cc1nnc(NC(=O)c2ccc(C(=O)O)s2)s1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is ACEPAUBXWCIVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S2/c1-4-11-12-9(16-4)10-7(13)5-2-3-6(17-5)8(14)15/h2-3H,1H3,(H,14,15)(H,10,12,13).
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 269.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 115577507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).