3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide

C7H10N4O2S — CID 130174434

IUPAC3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1(O)CCN(c2ncns2)C1
InChIInChI=1S/C7H10N4O2S/c8-5(12)7(13)1-2-11(3-7)6-9-4-10-14-6/h4,13H,1-3H2,(H2,8,12)
InChIKeyXZFUWOOYTCAVCA-UHFFFAOYSA-N
MW214.25 g/mol
LogP-1.04
Rot. Bonds2

About 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide

3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 130174434) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID130174434
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1(O)CCN(c2ncns2)C1
InChIInChI=1S/C7H10N4O2S/c8-5(12)7(13)1-2-11(3-7)6-9-4-10-14-6/h4,13H,1-3H2,(H2,8,12)
InChIKeyXZFUWOOYTCAVCA-UHFFFAOYSA-N
XLogP-1.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (CID 130174434) is 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is NC(=O)C1(O)CCN(c2ncns2)C1.
What is the InChIKey of 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is XZFUWOOYTCAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c8-5(12)7(13)1-2-11(3-7)6-9-4-10-14-6/h4,13H,1-3H2,(H2,8,12).
What are the key properties of 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 214.25 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 130174434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).