2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol

C11H14BrF3N2O2S — CID 167828362

IUPAC2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nc(C(F)(F)F)c(Br)s2)CCO1
InChIInChI=1S/C11H14BrF3N2O2S/c1-10(2,18)6-5-17(3-4-19-6)9-16-7(8(12)20-9)11(13,14)15/h6,18H,3-5H2,1-2H3
InChIKeyOIKMSUKDSIIMPO-UHFFFAOYSA-N
MW375.21 g/mol
LogP2.90
Rot. Bonds2

About 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol

2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol (PubChem CID 167828362) has the molecular formula C11H14BrF3N2O2S and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol
PubChem CID167828362
Molecular FormulaC11H14BrF3N2O2S
Molecular Weight375.21 g/mol
Exact Mass373.99
IUPAC Name2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2nc(C(F)(F)F)c(Br)s2)CCO1
InChIInChI=1S/C11H14BrF3N2O2S/c1-10(2,18)6-5-17(3-4-19-6)9-16-7(8(12)20-9)11(13,14)15/h6,18H,3-5H2,1-2H3
InChIKeyOIKMSUKDSIIMPO-UHFFFAOYSA-N
XLogP2.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 166237856
CID 166237856
CID 166237867
CID 166237867
CID 166237870
CID 166237870
CID 166243697
CID 166243697
CID 166296845
CID 166296845
CID 166377029
CID 166377029

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol (CID 167828362) is 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol is CC(C)(O)C1CN(c2nc(C(F)(F)F)c(Br)s2)CCO1.
What is the InChIKey of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol?
The InChIKey is OIKMSUKDSIIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF3N2O2S/c1-10(2,18)6-5-17(3-4-19-6)9-16-7(8(12)20-9)11(13,14)15/h6,18H,3-5H2,1-2H3.
What are the key properties of 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol?
2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol has a molecular weight of 375.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-bromo-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholin-2-yl]propan-2-ol is sourced from PubChem (CID 167828362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).