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

C13H14N4O2S — CID 71878924

IUPAC(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CC[C@H](O)C1
InChIInChI=1S/C13H14N4O2S/c18-10-6-7-17(8-10)13(19)15-12-14-11(16-20-12)9-4-2-1-3-5-9/h1-5,10,18H,6-8H2,(H,14,15,16,19)/t10-/m0/s1
InChIKeyVPZKQJWCFCVVIU-JTQLQIEISA-N
MW290.35 g/mol
LogP1.80
Rot. Bonds2

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

(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 71878924) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID71878924
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CC[C@H](O)C1
InChIInChI=1S/C13H14N4O2S/c18-10-6-7-17(8-10)13(19)15-12-14-11(16-20-12)9-4-2-1-3-5-9/h1-5,10,18H,6-8H2,(H,14,15,16,19)/t10-/m0/s1
InChIKeyVPZKQJWCFCVVIU-JTQLQIEISA-N
XLogP1.80
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 71878924) is (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is VPZKQJWCFCVVIU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-10-6-7-17(8-10)13(19)15-12-14-11(16-20-12)9-4-2-1-3-5-9/h1-5,10,18H,6-8H2,(H,14,15,16,19)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71878924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).