oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C9H11F3N2OS — CID 106783320

IUPACoxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCOC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)8-14-3-6(16-8)7(13)5-1-2-15-4-5/h3,5,7H,1-2,4,13H2
InChIKeyWMDJVAFAOFWARN-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.20
Rot. Bonds2

About oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783320) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Nameoxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783320
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Nameoxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCOC1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)8-14-3-6(16-8)7(13)5-1-2-15-4-5/h3,5,7H,1-2,4,13H2
InChIKeyWMDJVAFAOFWARN-UHFFFAOYSA-N
XLogP2.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783320) is oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cnc(C(F)(F)F)s1)C1CCOC1.
What is the InChIKey of oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WMDJVAFAOFWARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)8-14-3-6(16-8)7(13)5-1-2-15-4-5/h3,5,7H,1-2,4,13H2.
What are the key properties of oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 252.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).