2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid

C11H16N2O2S2 — CID 65444338

IUPAC2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(C)c1nsc(SCC2(CC(=O)O)CC2)n1
InChIInChI=1S/C11H16N2O2S2/c1-7(2)9-12-10(17-13-9)16-6-11(3-4-11)5-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyDSGGITLUNSJGRB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.01
Rot. Bonds6

About 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65444338) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65444338
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid
SMILESCC(C)c1nsc(SCC2(CC(=O)O)CC2)n1
InChIInChI=1S/C11H16N2O2S2/c1-7(2)9-12-10(17-13-9)16-6-11(3-4-11)5-8(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyDSGGITLUNSJGRB-UHFFFAOYSA-N
XLogP3.01
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid (CID 65444338) is 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid is CC(C)c1nsc(SCC2(CC(=O)O)CC2)n1.
What is the InChIKey of 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is DSGGITLUNSJGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7(2)9-12-10(17-13-9)16-6-11(3-4-11)5-8(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65444338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).