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

C11H10N2O2S2 — CID 5091998

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid
SMILESCc1nnc(SC(C(=O)O)c2ccccc2)s1
InChIInChI=1S/C11H10N2O2S2/c1-7-12-13-11(16-7)17-9(10(14)15)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,15)
InChIKeyAVDVLZCFHFAIBD-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.76
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid (PubChem CID 5091998) has the molecular formula C11H10N2O2S2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid
PubChem CID5091998
Molecular FormulaC11H10N2O2S2
Molecular Weight266.35 g/mol
Exact Mass266.02
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid
SMILESCc1nnc(SC(C(=O)O)c2ccccc2)s1
InChIInChI=1S/C11H10N2O2S2/c1-7-12-13-11(16-7)17-9(10(14)15)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,15)
InChIKeyAVDVLZCFHFAIBD-UHFFFAOYSA-N
XLogP2.76
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid (CID 5091998) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid is Cc1nnc(SC(C(=O)O)c2ccccc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid?
The InChIKey is AVDVLZCFHFAIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S2/c1-7-12-13-11(16-7)17-9(10(14)15)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,15).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid has a molecular weight of 266.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetic acid is sourced from PubChem (CID 5091998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).