N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

C13H14N4O2S — CID 110660221

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)C1CSCN1
InChIInChI=1S/C13H14N4O2S/c18-12(10-7-20-8-15-10)14-6-11-16-17-13(19-11)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,14,18)
InChIKeyZYTBNLZAFSUHBT-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.02
Rot. Bonds4

About N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110660221) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110660221
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1nnc(-c2ccccc2)o1)C1CSCN1
InChIInChI=1S/C13H14N4O2S/c18-12(10-7-20-8-15-10)14-6-11-16-17-13(19-11)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,14,18)
InChIKeyZYTBNLZAFSUHBT-UHFFFAOYSA-N
XLogP1.02
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115571323
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61015389
N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61248397
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 110408580
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
(4R)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124595922
2-[(3R)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 126446607
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110742446
2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110606908
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 110660221) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1nnc(-c2ccccc2)o1)C1CSCN1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZYTBNLZAFSUHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c18-12(10-7-20-8-15-10)14-6-11-16-17-13(19-11)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,14,18).
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110660221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).