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

C22H22N4O2S2 — CID 24505031

IUPAC2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCCCCCc2nc(-c3cccs3)no2)s1
InChIInChI=1S/C22H22N4O2S2/c1-15-24-19(16-9-4-2-5-10-16)20(30-15)22(27)23-13-7-3-6-12-18-25-21(26-28-18)17-11-8-14-29-17/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,23,27)
InChIKeyPICPGUDGABTUNT-UHFFFAOYSA-N
MW438.58 g/mol
LogP5.37
Rot. Bonds9

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

2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 24505031) has the molecular formula C22H22N4O2S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
PubChem CID24505031
Molecular FormulaC22H22N4O2S2
Molecular Weight438.58 g/mol
Exact Mass438.12
IUPAC Name2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCCCCCc2nc(-c3cccs3)no2)s1
InChIInChI=1S/C22H22N4O2S2/c1-15-24-19(16-9-4-2-5-10-16)20(30-15)22(27)23-13-7-3-6-12-18-25-21(26-28-18)17-11-8-14-29-17/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,23,27)
InChIKeyPICPGUDGABTUNT-UHFFFAOYSA-N
XLogP5.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-thiophen-2-yl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide
CID 24517351
2-(4-methylphenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 9144259
2-fluoro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144215
ethyl N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]carbamate
CID 9144032
2-(2-fluorophenyl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]acetamide
CID 24504993
N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]quinoline-2-carboxamide
CID 9144052
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]propanamide
CID 24505024
N-[2-oxo-2-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentylamino]ethyl]thiophene-2-carboxamide
CID 24550889
3-methyl-4-nitro-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144080
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
3-cyano-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]benzamide
CID 9144170
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 24505031) is 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NCCCCCc2nc(-c3cccs3)no2)s1.
What is the InChIKey of 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PICPGUDGABTUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S2/c1-15-24-19(16-9-4-2-5-10-16)20(30-15)22(27)23-13-7-3-6-12-18-25-21(26-28-18)17-11-8-14-29-17/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,23,27).
What are the key properties of 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide?
2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-N-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24505031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).