3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide

C13H17F3N2O2S — CID 71993369

IUPAC3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
SMILESO=C(CCC1CCCO1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)10-8-21-12(18-10)5-6-17-11(19)4-3-9-2-1-7-20-9/h8-9H,1-7H2,(H,17,19)
InChIKeyXXSYCYAQDMHWAX-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.78
Rot. Bonds6

About 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide

3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide (PubChem CID 71993369) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
PubChem CID71993369
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
SMILESO=C(CCC1CCCO1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H17F3N2O2S/c14-13(15,16)10-8-21-12(18-10)5-6-17-11(19)4-3-9-2-1-7-20-9/h8-9H,1-7H2,(H,17,19)
InChIKeyXXSYCYAQDMHWAX-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide?
The IUPAC name of 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide (CID 71993369) is 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide is O=C(CCC1CCCO1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide?
The InChIKey is XXSYCYAQDMHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c14-13(15,16)10-8-21-12(18-10)5-6-17-11(19)4-3-9-2-1-7-20-9/h8-9H,1-7H2,(H,17,19).
What are the key properties of 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide?
3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide has a molecular weight of 322.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 71993369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).