3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

C13H17N3O2S — CID 116703458

IUPAC3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCOC(c1noc(-c2c(N)sc(C)c2C)n1)C1CC1
InChIInChI=1S/C13H17N3O2S/c1-6-7(2)19-11(14)9(6)13-15-12(16-18-13)10(17-3)8-4-5-8/h8,10H,4-5,14H2,1-3H3
InChIKeyGFTTXJCGCPRTHL-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.09
Rot. Bonds4

About 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine

3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (PubChem CID 116703458) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
PubChem CID116703458
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
SMILESCOC(c1noc(-c2c(N)sc(C)c2C)n1)C1CC1
InChIInChI=1S/C13H17N3O2S/c1-6-7(2)19-11(14)9(6)13-15-12(16-18-13)10(17-3)8-4-5-8/h8,10H,4-5,14H2,1-3H3
InChIKeyGFTTXJCGCPRTHL-UHFFFAOYSA-N
XLogP3.09
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine (CID 116703458) is 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is COC(c1noc(-c2c(N)sc(C)c2C)n1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
The InChIKey is GFTTXJCGCPRTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-6-7(2)19-11(14)9(6)13-15-12(16-18-13)10(17-3)8-4-5-8/h8,10H,4-5,14H2,1-3H3.
What are the key properties of 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine?
3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine has a molecular weight of 279.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 116703458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).