4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

C9H11F3N2OS — CID 170133929

IUPAC4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-6-7(9(10,11)12)13-8(16-6)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyMEUWDWWSZQUPOY-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.31
Rot. Bonds1

About 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine

4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 170133929) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
PubChem CID170133929
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-6-7(9(10,11)12)13-8(16-6)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyMEUWDWWSZQUPOY-UHFFFAOYSA-N
XLogP2.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine (CID 170133929) is 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is Cc1sc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is MEUWDWWSZQUPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-6-7(9(10,11)12)13-8(16-6)14-2-4-15-5-3-14/h2-5H2,1H3.
What are the key properties of 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine?
4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 252.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 170133929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).