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

C7H5N3O2S3 — CID 18708686

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nnc(Sc2ncc(C(=O)O)s2)s1
InChIInChI=1S/C7H5N3O2S3/c1-3-9-10-7(13-3)15-6-8-2-4(14-6)5(11)12/h2H,1H3,(H,11,12)
InChIKeyVBSHENCBOGHMKE-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.15
Rot. Bonds3

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 18708686) has the molecular formula C7H5N3O2S3 and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
PubChem CID18708686
Molecular FormulaC7H5N3O2S3
Molecular Weight259.34 g/mol
Exact Mass258.95
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nnc(Sc2ncc(C(=O)O)s2)s1
InChIInChI=1S/C7H5N3O2S3/c1-3-9-10-7(13-3)15-6-8-2-4(14-6)5(11)12/h2H,1H3,(H,11,12)
InChIKeyVBSHENCBOGHMKE-UHFFFAOYSA-N
XLogP2.15
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

5-Thiazolecarboxylic acid, 2-methyl-
CID 98845
5-Thiazolecarboxylic acid, 2-ethyl-
CID 207755
Dithioether 1,3,4-thiadiazole, 8g
CID 42618082
2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 58688333
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-(5-Carboxy-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxylic acid
CID 165982839
2-[(5-Butyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18707537
2-(1-Methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707580
2-[[5-(Carboxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18707671
2-(2-Ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707839
2-[[5-(2-Ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18707861
2-(1-Ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708071

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid (CID 18708686) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid is Cc1nnc(Sc2ncc(C(=O)O)s2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VBSHENCBOGHMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2S3/c1-3-9-10-7(13-3)15-6-8-2-4(14-6)5(11)12/h2H,1H3,(H,11,12).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 259.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18708686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).