N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide

C11H15F3N4OS — CID 111820872

IUPACN'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCOCC1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)8-7-20-9(17-8)1-2-16-10(15)18-3-5-19-6-4-18/h7H,1-6H2,(H2,15,16)
InChIKeyPVDVOWLIDQNYKH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.35
Rot. Bonds3

About N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide

N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide (PubChem CID 111820872) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide
PubChem CID111820872
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC NameN'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCOCC1
InChIInChI=1S/C11H15F3N4OS/c12-11(13,14)8-7-20-9(17-8)1-2-16-10(15)18-3-5-19-6-4-18/h7H,1-6H2,(H2,15,16)
InChIKeyPVDVOWLIDQNYKH-UHFFFAOYSA-N
XLogP1.35
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide (CID 111820872) is N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide is N/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCOCC1.
What is the InChIKey of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide?
The InChIKey is PVDVOWLIDQNYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c12-11(13,14)8-7-20-9(17-8)1-2-16-10(15)18-3-5-19-6-4-18/h7H,1-6H2,(H2,15,16).
What are the key properties of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide?
N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide has a molecular weight of 308.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111820872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).