N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C14H15F3N2O2S — CID 133383675

IUPACN-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(N(Cc2ccco2)CC2CCCO2)n1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)12-9-22-13(18-12)19(7-10-3-1-5-20-10)8-11-4-2-6-21-11/h1,3,5,9,11H,2,4,6-8H2
InChIKeyJVGHVQJPKFJFMP-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.94
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133383675) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133383675
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC NameN-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(N(Cc2ccco2)CC2CCCO2)n1
InChIInChI=1S/C14H15F3N2O2S/c15-14(16,17)12-9-22-13(18-12)19(7-10-3-1-5-20-10)8-11-4-2-6-21-11/h1,3,5,9,11H,2,4,6-8H2
InChIKeyJVGHVQJPKFJFMP-UHFFFAOYSA-N
XLogP3.94
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133383675) is N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(N(Cc2ccco2)CC2CCCO2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JVGHVQJPKFJFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c15-14(16,17)12-9-22-13(18-12)19(7-10-3-1-5-20-10)8-11-4-2-6-21-11/h1,3,5,9,11H,2,4,6-8H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 332.35 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133383675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).