3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine

C15H19N3O2S — CID 118158662

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
SMILESCC1(C)OC(C)(C)c2c1sc(N)c2-c1nc(C2CC2)no1
InChIInChI=1S/C15H19N3O2S/c1-14(2)9-8(11(16)21-10(9)15(3,4)20-14)13-17-12(18-19-13)7-5-6-7/h7H,5-6,16H2,1-4H3
InChIKeyPUPUUGHYRKEFLP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.76
Rot. Bonds2

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine (PubChem CID 118158662) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
PubChem CID118158662
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
SMILESCC1(C)OC(C)(C)c2c1sc(N)c2-c1nc(C2CC2)no1
InChIInChI=1S/C15H19N3O2S/c1-14(2)9-8(11(16)21-10(9)15(3,4)20-14)13-17-12(18-19-13)7-5-6-7/h7H,5-6,16H2,1-4H3
InChIKeyPUPUUGHYRKEFLP-UHFFFAOYSA-N
XLogP3.76
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine (CID 118158662) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine is CC1(C)OC(C)(C)c2c1sc(N)c2-c1nc(C2CC2)no1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine?
The InChIKey is PUPUUGHYRKEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-14(2)9-8(11(16)21-10(9)15(3,4)20-14)13-17-12(18-19-13)7-5-6-7/h7H,5-6,16H2,1-4H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine has a molecular weight of 305.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine is sourced from PubChem (CID 118158662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).