4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

C20H18N6O3S — CID 59471616

IUPAC4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C20H18N6O3S/c1-26(2)20(27)12-6-4-11(5-7-12)13-10-22-17(21)15(23-13)18-24-25-19(29-18)16-14(28-3)8-9-30-16/h4-10H,1-3H3,(H2,21,22)
InChIKeyBMOZRGCSBVNIDB-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.21
Rot. Bonds5

About 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471616) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471616
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC Name4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C20H18N6O3S/c1-26(2)20(27)12-6-4-11(5-7-12)13-10-22-17(21)15(23-13)18-24-25-19(29-18)16-14(28-3)8-9-30-16/h4-10H,1-3H3,(H2,21,22)
InChIKeyBMOZRGCSBVNIDB-UHFFFAOYSA-N
XLogP3.21
TPSA120.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471616) is 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is COc1ccsc1-c1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.
What is the InChIKey of 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is BMOZRGCSBVNIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-26(2)20(27)12-6-4-11(5-7-12)13-10-22-17(21)15(23-13)18-24-25-19(29-18)16-14(28-3)8-9-30-16/h4-10H,1-3H3,(H2,21,22).
What are the key properties of 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 422.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).