4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine

C15H14F3N5O2S2 — CID 22166867

IUPAC4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESO=S(Cc1ncc(C(F)(F)F)c(N2CCOCC2)n1)c1nc2cscc2[nH]1
InChIInChI=1S/C15H14F3N5O2S2/c16-15(17,18)9-5-19-12(22-13(9)23-1-3-25-4-2-23)8-27(24)14-20-10-6-26-7-11(10)21-14/h5-7H,1-4,8H2,(H,20,21)
InChIKeyQWYHAEACMJLENI-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.58
Rot. Bonds4

About 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine

4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 22166867) has the molecular formula C15H14F3N5O2S2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID22166867
Molecular FormulaC15H14F3N5O2S2
Molecular Weight417.44 g/mol
Exact Mass417.05
IUPAC Name4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESO=S(Cc1ncc(C(F)(F)F)c(N2CCOCC2)n1)c1nc2cscc2[nH]1
InChIInChI=1S/C15H14F3N5O2S2/c16-15(17,18)9-5-19-12(22-13(9)23-1-3-25-4-2-23)8-27(24)14-20-10-6-26-7-11(10)21-14/h5-7H,1-4,8H2,(H,20,21)
InChIKeyQWYHAEACMJLENI-UHFFFAOYSA-N
XLogP2.58
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 22166867) is 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine is O=S(Cc1ncc(C(F)(F)F)c(N2CCOCC2)n1)c1nc2cscc2[nH]1.
What is the InChIKey of 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is QWYHAEACMJLENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2S2/c16-15(17,18)9-5-19-12(22-13(9)23-1-3-25-4-2-23)8-27(24)14-20-10-6-26-7-11(10)21-14/h5-7H,1-4,8H2,(H,20,21).
What are the key properties of 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine?
4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 417.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-thieno[3,4-d]imidazol-2-ylsulfinylmethyl)-5-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 22166867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).