5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid

C10H7N3O4S — CID 175751128

IUPAC5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)ns1)Oc1ccccc1
InChIInChI=1S/C10H7N3O4S/c14-8(15)7-11-9(18-13-7)12-10(16)17-6-4-2-1-3-5-6/h1-5H,(H,14,15)(H,11,12,13,16)
InChIKeyZUQRMUVWKHQTBT-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.85
Rot. Bonds3

About 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid

5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid (PubChem CID 175751128) has the molecular formula C10H7N3O4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid
PubChem CID175751128
Molecular FormulaC10H7N3O4S
Molecular Weight265.25 g/mol
Exact Mass265.02
IUPAC Name5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid
SMILESO=C(Nc1nc(C(=O)O)ns1)Oc1ccccc1
InChIInChI=1S/C10H7N3O4S/c14-8(15)7-11-9(18-13-7)12-10(16)17-6-4-2-1-3-5-6/h1-5H,(H,14,15)(H,11,12,13,16)
InChIKeyZUQRMUVWKHQTBT-UHFFFAOYSA-N
XLogP1.85
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
CID 162365120
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
CID 87406304
phenyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
CID 23361835
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
phenyl N-(7-methoxy-1,3-benzothiazol-2-yl)carbamate
CID 121004815
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
phenyl N-phenoxycarbonylcarbamate
CID 11043392
2-methyl-6-(phenoxycarbonylamino)pyridine-3-carboxylic acid
CID 90422775
phenyl N-(1H-1,2,4-triazol-5-yl)carbamate
CID 19171442
phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
CID 86622750
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833
phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727693

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid?
The IUPAC name of 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid (CID 175751128) is 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid?
The canonical SMILES for 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid is O=C(Nc1nc(C(=O)O)ns1)Oc1ccccc1.
What is the InChIKey of 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid?
The InChIKey is ZUQRMUVWKHQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4S/c14-8(15)7-11-9(18-13-7)12-10(16)17-6-4-2-1-3-5-6/h1-5H,(H,14,15)(H,11,12,13,16).
What are the key properties of 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid?
5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid has a molecular weight of 265.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxycarbonylamino)-1,2,4-thiadiazole-3-carboxylic acid is sourced from PubChem (CID 175751128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).