4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid

C10H13N3O2S2 — CID 82900494

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H13N3O2S2/c14-9(15)7-5-16-4-3-13(7)10-11-8(12-17-10)6-1-2-6/h6-7H,1-5H2,(H,14,15)
InChIKeyPSBAYZHOWKXGEB-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.42
Rot. Bonds3

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid (PubChem CID 82900494) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
PubChem CID82900494
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H13N3O2S2/c14-9(15)7-5-16-4-3-13(7)10-11-8(12-17-10)6-1-2-6/h6-7H,1-5H2,(H,14,15)
InChIKeyPSBAYZHOWKXGEB-UHFFFAOYSA-N
XLogP1.42
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine-3-carboxylic acid
CID 113943886
2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
CID 65270361
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]propanoic acid
CID 65270674
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65272946
2-[4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66443323
2-[4-(3-Propyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66443727
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66444698
2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholin-3-yl]acetic acid
CID 66445287
2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80518537
4-(3-Methyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82901429
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82904408
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82904653

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid (CID 82900494) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid?
The InChIKey is PSBAYZHOWKXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c14-9(15)7-5-16-4-3-13(7)10-11-8(12-17-10)6-1-2-6/h6-7H,1-5H2,(H,14,15).
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid has a molecular weight of 271.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82900494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).