3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine

C11H10F3N3OS — CID 118198992

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CC3)no2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-4-7(11(12,13)14)6(8(15)19-4)10-16-9(17-18-10)5-2-3-5/h5H,2-3,15H2,1H3
InChIKeyCRZWJDOITGVVKE-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.58
Rot. Bonds2

About 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine (PubChem CID 118198992) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
PubChem CID118198992
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine
SMILESCc1sc(N)c(-c2nc(C3CC3)no2)c1C(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-4-7(11(12,13)14)6(8(15)19-4)10-16-9(17-18-10)5-2-3-5/h5H,2-3,15H2,1H3
InChIKeyCRZWJDOITGVVKE-UHFFFAOYSA-N
XLogP3.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65329462
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65390159
3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 65412664
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
CID 118158662
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-fluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 118158685
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
5-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 80602727
4,5-dimethyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 61392883
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
4,5-dimethyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 79077443
3-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65395135

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine (CID 118198992) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine is Cc1sc(N)c(-c2nc(C3CC3)no2)c1C(F)(F)F.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine?
The InChIKey is CRZWJDOITGVVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-4-7(11(12,13)14)6(8(15)19-4)10-16-9(17-18-10)5-2-3-5/h5H,2-3,15H2,1H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine has a molecular weight of 289.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-methyl-4-(trifluoromethyl)thiophen-2-amine is sourced from PubChem (CID 118198992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).