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

C19H24N4O3S — CID 46843210

IUPAC(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1
InChIInChI=1S/C19H24N4O3S/c24-15-10-16(23(12-15)11-13-6-8-26-9-7-13)18(25)21-19-20-17(22-27-19)14-4-2-1-3-5-14/h1-5,13,15-16,24H,6-12H2,(H,20,21,22,25)/t15-,16+/m1/s1
InChIKeyMZQSBNOGYKDZQC-CVEARBPZSA-N
MW388.49 g/mol
LogP2.01
Rot. Bonds5

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

(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 46843210) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID46843210
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1
InChIInChI=1S/C19H24N4O3S/c24-15-10-16(23(12-15)11-13-6-8-26-9-7-13)18(25)21-19-20-17(22-27-19)14-4-2-1-3-5-14/h1-5,13,15-16,24H,6-12H2,(H,20,21,22,25)/t15-,16+/m1/s1
InChIKeyMZQSBNOGYKDZQC-CVEARBPZSA-N
XLogP2.01
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 46843210) is (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1C[C@@H](O)CN1CC1CCOCC1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is MZQSBNOGYKDZQC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-15-10-16(23(12-15)11-13-6-8-26-9-7-13)18(25)21-19-20-17(22-27-19)14-4-2-1-3-5-14/h1-5,13,15-16,24H,6-12H2,(H,20,21,22,25)/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46843210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).