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

C11H15N3O2S2 — CID 66445287

IUPAC2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H15N3O2S2/c15-9(16)5-8-6-17-4-3-14(8)11-12-10(13-18-11)7-1-2-7/h7-8H,1-6H2,(H,15,16)
InChIKeyDYDIIFHFKYFXGQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.81
Rot. Bonds4

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

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 66445287) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
PubChem CID66445287
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H15N3O2S2/c15-9(16)5-8-6-17-4-3-14(8)11-12-10(13-18-11)7-1-2-7/h7-8H,1-6H2,(H,15,16)
InChIKeyDYDIIFHFKYFXGQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid (CID 66445287) is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is DYDIIFHFKYFXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c15-9(16)5-8-6-17-4-3-14(8)11-12-10(13-18-11)7-1-2-7/h7-8H,1-6H2,(H,15,16).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66445287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).