2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid

C6H3N3O2S2 — CID 130592506

IUPAC2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2csnn2)s1
InChIInChI=1S/C6H3N3O2S2/c10-6(11)4-1-7-5(13-4)3-2-12-9-8-3/h1-2H,(H,10,11)
InChIKeyPUURJOMRFIQLMR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.36
Rot. Bonds2

About 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid

2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 130592506) has the molecular formula C6H3N3O2S2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID130592506
Molecular FormulaC6H3N3O2S2
Molecular Weight213.24 g/mol
Exact Mass212.97
IUPAC Name2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2csnn2)s1
InChIInChI=1S/C6H3N3O2S2/c10-6(11)4-1-7-5(13-4)3-2-12-9-8-3/h1-2H,(H,10,11)
InChIKeyPUURJOMRFIQLMR-UHFFFAOYSA-N
XLogP1.36
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylimidazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 130598614
2-quinolin-2-yl-1,3-thiazole-5-carboxylic acid
CID 63222493
2-(4-bromo-2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114905337
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
2-quinolin-4-yl-1,3-thiazole-5-carboxylic acid
CID 63867793
2-(2-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 107931351
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
2-amino-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 86648025
2-methyl-5-(thiadiazol-4-yl)benzoic acid
CID 174257420
2-(2-methylfuran-3-yl)-1,3-thiazole-5-carboxylic acid
CID 104789074

Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid (CID 130592506) is 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(-c2csnn2)s1.
What is the InChIKey of 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is PUURJOMRFIQLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O2S2/c10-6(11)4-1-7-5(13-4)3-2-12-9-8-3/h1-2H,(H,10,11).
What are the key properties of 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid?
2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 130592506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).