N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide

C18H13N3O2S2 — CID 53163830

IUPACN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
SMILESCc1cccc(-c2noc(-c3sccc3NC(=O)c3ccsc3)n2)c1
InChIInChI=1S/C18H13N3O2S2/c1-11-3-2-4-12(9-11)16-20-18(23-21-16)15-14(6-8-25-15)19-17(22)13-5-7-24-10-13/h2-10H,1H3,(H,19,22)
InChIKeyWLVMSJYILCJQPF-UHFFFAOYSA-N
MW367.46 g/mol
LogP5.09
Rot. Bonds4

About N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide

N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide (PubChem CID 53163830) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
PubChem CID53163830
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide
SMILESCc1cccc(-c2noc(-c3sccc3NC(=O)c3ccsc3)n2)c1
InChIInChI=1S/C18H13N3O2S2/c1-11-3-2-4-12(9-11)16-20-18(23-21-16)15-14(6-8-25-15)19-17(22)13-5-7-24-10-13/h2-10H,1H3,(H,19,22)
InChIKeyWLVMSJYILCJQPF-UHFFFAOYSA-N
XLogP5.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 53163828
4-fluoro-N-[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163882
3-methoxy-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163713
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 104656670
3-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607600
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
2-(3,5-dimethoxyphenyl)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]acetamide
CID 53163730
3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11483040
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
3-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79975059
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
3,4,5-triethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607611

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide (CID 53163830) is N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide is Cc1cccc(-c2noc(-c3sccc3NC(=O)c3ccsc3)n2)c1.
What is the InChIKey of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide?
The InChIKey is WLVMSJYILCJQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c1-11-3-2-4-12(9-11)16-20-18(23-21-16)15-14(6-8-25-15)19-17(22)13-5-7-24-10-13/h2-10H,1H3,(H,19,22).
What are the key properties of N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide?
N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 53163830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).