(2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one

C15H17N5O2S — CID 71592504

IUPAC(2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2)N1c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C15H17N5O2S/c21-12-10-23-13(11-4-2-1-3-5-11)20(12)15-16-14(17-18-15)19-6-8-22-9-7-19/h1-5,13H,6-10H2,(H,16,17,18)/t13-/m1/s1
InChIKeyMBVPXQNWPLAXQJ-CYBMUJFWSA-N
MW331.40 g/mol
LogP1.42
Rot. Bonds3

About (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one

(2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 71592504) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one
PubChem CID71592504
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name(2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccccc2)N1c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C15H17N5O2S/c21-12-10-23-13(11-4-2-1-3-5-11)20(12)15-16-14(17-18-15)19-6-8-22-9-7-19/h1-5,13H,6-10H2,(H,16,17,18)/t13-/m1/s1
InChIKeyMBVPXQNWPLAXQJ-CYBMUJFWSA-N
XLogP1.42
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one (CID 71592504) is (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccccc2)N1c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is MBVPXQNWPLAXQJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N5O2S/c21-12-10-23-13(11-4-2-1-3-5-11)20(12)15-16-14(17-18-15)19-6-8-22-9-7-19/h1-5,13H,6-10H2,(H,16,17,18)/t13-/m1/s1.
What are the key properties of (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one?
(2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 331.40 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 (2R)-3-(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71592504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).