4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide

C15H14N4O2S — CID 53167416

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NCCc3ccccc3)n2)n1
InChIInChI=1S/C15H14N4O2S/c1-10-17-14(21-19-10)12-9-22-15(18-12)13(20)16-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,20)
InChIKeyDXWLONCJFDQJRT-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.47
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide (PubChem CID 53167416) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
PubChem CID53167416
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
SMILESCc1noc(-c2csc(C(=O)NCCc3ccccc3)n2)n1
InChIInChI=1S/C15H14N4O2S/c1-10-17-14(21-19-10)12-9-22-15(18-12)13(20)16-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,20)
InChIKeyDXWLONCJFDQJRT-UHFFFAOYSA-N
XLogP2.47
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
CID 53167430
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(3-phenylpropyl)urea
CID 90607747
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
6-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126471386
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide (CID 53167416) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide is Cc1noc(-c2csc(C(=O)NCCc3ccccc3)n2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is DXWLONCJFDQJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-17-14(21-19-10)12-9-22-15(18-12)13(20)16-8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,16,20).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53167416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).