1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine

C12H13F3N4OS — CID 86801854

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
SMILESCc1nc(C2(NCc3nc(C(F)(F)F)cs3)CCC2)no1
InChIInChI=1S/C12H13F3N4OS/c1-7-17-10(19-20-7)11(3-2-4-11)16-5-9-18-8(6-21-9)12(13,14)15/h6,16H,2-5H2,1H3
InChIKeyPVGZBJFKRVDNPR-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.02
Rot. Bonds4

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine (PubChem CID 86801854) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
PubChem CID86801854
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine
SMILESCc1nc(C2(NCc3nc(C(F)(F)F)cs3)CCC2)no1
InChIInChI=1S/C12H13F3N4OS/c1-7-17-10(19-20-7)11(3-2-4-11)16-5-9-18-8(6-21-9)12(13,14)15/h6,16H,2-5H2,1H3
InChIKeyPVGZBJFKRVDNPR-UHFFFAOYSA-N
XLogP3.02
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine (CID 86801854) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine is Cc1nc(C2(NCc3nc(C(F)(F)F)cs3)CCC2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
The InChIKey is PVGZBJFKRVDNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-7-17-10(19-20-7)11(3-2-4-11)16-5-9-18-8(6-21-9)12(13,14)15/h6,16H,2-5H2,1H3.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine?
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine has a molecular weight of 318.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 86801854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).