(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H8F3N3OS — CID 61345588

IUPAC(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccsc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3OS/c1-4-2-3-17-6(4)5(13)7-14-8(16-15-7)9(10,11)12/h2-3,5H,13H2,1H3
InChIKeyCXKCRFZAMSBMQR-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.51
Rot. Bonds2

About (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61345588) has the molecular formula C9H8F3N3OS and a molecular weight of 263.24 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61345588
Molecular FormulaC9H8F3N3OS
Molecular Weight263.24 g/mol
Exact Mass263.03
IUPAC Name(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1ccsc1C(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3OS/c1-4-2-3-17-6(4)5(13)7-14-8(16-15-7)9(10,11)12/h2-3,5H,13H2,1H3
InChIKeyCXKCRFZAMSBMQR-UHFFFAOYSA-N
XLogP2.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61345588) is (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1ccsc1C(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is CXKCRFZAMSBMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3OS/c1-4-2-3-17-6(4)5(13)7-14-8(16-15-7)9(10,11)12/h2-3,5H,13H2,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 263.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61345588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).