2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid

C8H10N2O2S2 — CID 65442738

IUPAC2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSc2nncs2)CC1
InChIInChI=1S/C8H10N2O2S2/c11-6(12)3-8(1-2-8)4-13-7-10-9-5-14-7/h5H,1-4H2,(H,11,12)
InChIKeyVSZLRQZIYXTHDR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.89
Rot. Bonds5

About 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid

2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid (PubChem CID 65442738) has the molecular formula C8H10N2O2S2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid
PubChem CID65442738
Molecular FormulaC8H10N2O2S2
Molecular Weight230.31 g/mol
Exact Mass230.02
IUPAC Name2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSc2nncs2)CC1
InChIInChI=1S/C8H10N2O2S2/c11-6(12)3-8(1-2-8)4-13-7-10-9-5-14-7/h5H,1-4H2,(H,11,12)
InChIKeyVSZLRQZIYXTHDR-UHFFFAOYSA-N
XLogP1.89
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid (CID 65442738) is 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CSc2nncs2)CC1.
What is the InChIKey of 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
The InChIKey is VSZLRQZIYXTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S2/c11-6(12)3-8(1-2-8)4-13-7-10-9-5-14-7/h5H,1-4H2,(H,11,12).
What are the key properties of 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3,4-thiadiazol-2-ylsulfanylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).