3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

C15H17F3N2O3S2 — CID 155853484

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESCc1nc(C2COCCN2Cc2cccs2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N2OS2.C2HF3O2/c1-10-14-12(9-18-10)13-8-16-5-4-15(13)7-11-3-2-6-17-11;3-2(4,5)1(6)7/h2-3,6,9,13H,4-5,7-8H2,1H3;(H,6,7)
InChIKeyRWQVHFZENCNYIX-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.72
Rot. Bonds3

About 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid

3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 155853484) has the molecular formula C15H17F3N2O3S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID155853484
Molecular FormulaC15H17F3N2O3S2
Molecular Weight394.44 g/mol
Exact Mass394.06
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
SMILESCc1nc(C2COCCN2Cc2cccs2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16N2OS2.C2HF3O2/c1-10-14-12(9-18-10)13-8-16-5-4-15(13)7-11-3-2-6-17-11;3-2(4,5)1(6)7/h2-3,6,9,13H,4-5,7-8H2,1H3;(H,6,7)
InChIKeyRWQVHFZENCNYIX-UHFFFAOYSA-N
XLogP3.72
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid (CID 155853484) is 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is Cc1nc(C2COCCN2Cc2cccs2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is RWQVHFZENCNYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2.C2HF3O2/c1-10-14-12(9-18-10)13-8-16-5-4-15(13)7-11-3-2-6-17-11;3-2(4,5)1(6)7/h2-3,6,9,13H,4-5,7-8H2,1H3;(H,6,7).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid?
3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 394.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155853484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).