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

C19H24N4O2S — CID 67457982

IUPAC(2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCN1CC1CCOCC1
InChIInChI=1S/C19H24N4O2S/c24-18(16-7-4-10-23(16)13-14-8-11-25-12-9-14)21-19-20-17(22-26-19)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,21,22,24)/t16-/m0/s1
InChIKeyJOGQGOHJELZFQD-INIZCTEOSA-N
MW372.49 g/mol
LogP3.03
Rot. Bonds5

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

(2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 67457982) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID67457982
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name(2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCN1CC1CCOCC1
InChIInChI=1S/C19H24N4O2S/c24-18(16-7-4-10-23(16)13-14-8-11-25-12-9-14)21-19-20-17(22-26-19)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,21,22,24)/t16-/m0/s1
InChIKeyJOGQGOHJELZFQD-INIZCTEOSA-N
XLogP3.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 67457982) is (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)[C@@H]1CCCN1CC1CCOCC1.
What is the InChIKey of (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is JOGQGOHJELZFQD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2S/c24-18(16-7-4-10-23(16)13-14-8-11-25-12-9-14)21-19-20-17(22-26-19)15-5-2-1-3-6-15/h1-3,5-6,14,16H,4,7-13H2,(H,20,21,22,24)/t16-/m0/s1.
What are the key properties of (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
(2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(oxan-4-ylmethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 67457982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).