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

C10H15N3O2S2 — CID 66444698

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
SMILESCCc1nsc(N2CCSCC2CC(=O)O)n1
InChIInChI=1S/C10H15N3O2S2/c1-2-8-11-10(17-12-8)13-3-4-16-6-7(13)5-9(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKeyDQEMRBASDMOWJU-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.50
Rot. Bonds4

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

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid (PubChem CID 66444698) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
PubChem CID66444698
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
SMILESCCc1nsc(N2CCSCC2CC(=O)O)n1
InChIInChI=1S/C10H15N3O2S2/c1-2-8-11-10(17-12-8)13-3-4-16-6-7(13)5-9(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKeyDQEMRBASDMOWJU-UHFFFAOYSA-N
XLogP1.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1,1-Dioxo-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]-1,4-thiazinan-3-yl]acetic acid
CID 107304400
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]thiomorpholin-3-yl]acetic acid
CID 113943874
3-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65267840
3-[Ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65270469
3-[Ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65270522
2-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66442937
2-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66443323
2-[4-(1,2,4-Thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66443529
2-[4-(3-Propyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66443727
2-[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66444704
2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66445287
2-[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80515011

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid (CID 66444698) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid is CCc1nsc(N2CCSCC2CC(=O)O)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
The InChIKey is DQEMRBASDMOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-2-8-11-10(17-12-8)13-3-4-16-6-7(13)5-9(14)15/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).