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

C15H13N3O2S2 — CID 53156199

IUPACN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccsc1
InChIInChI=1S/C15H13N3O2S2/c19-14(10-5-6-21-8-10)16-7-11-3-4-12(22-11)15-17-13(18-20-15)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,16,19)
InChIKeyLLZDFUQMVPPQNH-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.67
Rot. Bonds5

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

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 53156199) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide
PubChem CID53156199
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccsc1
InChIInChI=1S/C15H13N3O2S2/c19-14(10-5-6-21-8-10)16-7-11-3-4-12(22-11)15-17-13(18-20-15)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,16,19)
InChIKeyLLZDFUQMVPPQNH-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide (CID 53156199) is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide is O=C(NCc1ccc(-c2nc(C3CC3)no2)s1)c1ccsc1.
What is the InChIKey of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is LLZDFUQMVPPQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-14(10-5-6-21-8-10)16-7-11-3-4-12(22-11)15-17-13(18-20-15)9-1-2-9/h3-6,8-9H,1-2,7H2,(H,16,19).
What are the key properties of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide?
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 53156199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).