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

C10H13F3N2OS — CID 106783326

IUPACoxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCCOC1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)9-15-4-7(17-9)8(14)6-2-1-3-16-5-6/h4,6,8H,1-3,5,14H2
InChIKeyYRPKTULNBSACQW-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.59
Rot. Bonds2

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

oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783326) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Nameoxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783326
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Nameoxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1cnc(C(F)(F)F)s1)C1CCCOC1
InChIInChI=1S/C10H13F3N2OS/c11-10(12,13)9-15-4-7(17-9)8(14)6-2-1-3-16-5-6/h4,6,8H,1-3,5,14H2
InChIKeyYRPKTULNBSACQW-UHFFFAOYSA-N
XLogP2.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783326) is oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1cnc(C(F)(F)F)s1)C1CCCOC1.
What is the InChIKey of oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YRPKTULNBSACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c11-10(12,13)9-15-4-7(17-9)8(14)6-2-1-3-16-5-6/h4,6,8H,1-3,5,14H2.
What are the key properties of oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 266.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).