2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid

C10H10N2O2S3 — CID 23007285

IUPAC2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
SMILESCc1ccc(-c2nnc(SC(C)C(=O)O)s2)s1
InChIInChI=1S/C10H10N2O2S3/c1-5-3-4-7(15-5)8-11-12-10(17-8)16-6(2)9(13)14/h3-4,6H,1-2H3,(H,13,14)
InChIKeyVZZLYCKQUWCECT-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.14
Rot. Bonds4

About 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid

2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid (PubChem CID 23007285) has the molecular formula C10H10N2O2S3 and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
PubChem CID23007285
Molecular FormulaC10H10N2O2S3
Molecular Weight286.40 g/mol
Exact Mass285.99
IUPAC Name2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid
SMILESCc1ccc(-c2nnc(SC(C)C(=O)O)s2)s1
InChIInChI=1S/C10H10N2O2S3/c1-5-3-4-7(15-5)8-11-12-10(17-8)16-6(2)9(13)14/h3-4,6H,1-2H3,(H,13,14)
InChIKeyVZZLYCKQUWCECT-UHFFFAOYSA-N
XLogP3.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
The IUPAC name of 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid (CID 23007285) is 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid is Cc1ccc(-c2nnc(SC(C)C(=O)O)s2)s1.
What is the InChIKey of 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
The InChIKey is VZZLYCKQUWCECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S3/c1-5-3-4-7(15-5)8-11-12-10(17-8)16-6(2)9(13)14/h3-4,6H,1-2H3,(H,13,14).
What are the key properties of 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid?
2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid has a molecular weight of 286.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoic acid is sourced from PubChem (CID 23007285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).