2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid

C8H11N3O2S2 — CID 66443529

IUPAC2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1c1ncns1
InChIInChI=1S/C8H11N3O2S2/c12-7(13)3-6-4-14-2-1-11(6)8-9-5-10-15-8/h5-6H,1-4H2,(H,12,13)
InChIKeyYRMHWBWGMHPISG-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.93
Rot. Bonds3

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

2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 66443529) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
PubChem CID66443529
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Name2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1c1ncns1
InChIInChI=1S/C8H11N3O2S2/c12-7(13)3-6-4-14-2-1-11(6)8-9-5-10-15-8/h5-6H,1-4H2,(H,12,13)
InChIKeyYRMHWBWGMHPISG-UHFFFAOYSA-N
XLogP0.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid (CID 66443529) is 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1c1ncns1.
What is the InChIKey of 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is YRMHWBWGMHPISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c12-7(13)3-6-4-14-2-1-11(6)8-9-5-10-15-8/h5-6H,1-4H2,(H,12,13).
What are the key properties of 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 245.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66443529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).