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

C16H15N3O2S2 — CID 53156193

IUPACN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)s1
InChIInChI=1S/C16H15N3O2S2/c1-9-2-6-12(22-9)15(20)17-8-11-5-7-13(23-11)16-18-14(19-21-16)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,17,20)
InChIKeyTVVQYUPGLXUSBU-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.98
Rot. Bonds5

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

N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 53156193) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID53156193
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)s1
InChIInChI=1S/C16H15N3O2S2/c1-9-2-6-12(22-9)15(20)17-8-11-5-7-13(23-11)16-18-14(19-21-16)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,17,20)
InChIKeyTVVQYUPGLXUSBU-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.98
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]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide (CID 53156193) is N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)s1.
What is the InChIKey of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is TVVQYUPGLXUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-9-2-6-12(22-9)15(20)17-8-11-5-7-13(23-11)16-18-14(19-21-16)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3,(H,17,20).
What are the key properties of N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.98, 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]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 53156193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).