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

C16H16N4O2S — CID 53167430

IUPACN-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2nc(-c3nc(C)no3)cs2)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-11-4-6-12(7-5-11)8-17-14(21)16-19-13(9-23-16)15-18-10(2)20-22-15/h4-7,9H,3,8H2,1-2H3,(H,17,21)
InChIKeyQICUUKOGXRIVAU-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.99
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 53167430) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
PubChem CID53167430
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2nc(-c3nc(C)no3)cs2)cc1
InChIInChI=1S/C16H16N4O2S/c1-3-11-4-6-12(7-5-11)8-17-14(21)16-19-13(9-23-16)15-18-10(2)20-22-15/h4-7,9H,3,8H2,1-2H3,(H,17,21)
InChIKeyQICUUKOGXRIVAU-UHFFFAOYSA-N
XLogP2.99
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylethyl)-1,3-thiazole-2-carboxamide
CID 53167416
N-[(4-ethylphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178621
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
1H-indol-3-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanone
CID 148782007
N-[(4-ethylphenyl)methyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 46388416
5-(ethylamino)-N-[(4-ethylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106900743
1-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63523872
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46820023
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 24683154
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 53158272

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide (CID 53167430) is N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide is CCc1ccc(CNC(=O)c2nc(-c3nc(C)no3)cs2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is QICUUKOGXRIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-11-4-6-12(7-5-11)8-17-14(21)16-19-13(9-23-16)15-18-10(2)20-22-15/h4-7,9H,3,8H2,1-2H3,(H,17,21).
What are the key properties of N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide?
N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 53167430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).