N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

C15H24F3IN4S2 — CID 109485327

IUPACN,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCSC(CC)C1.I
InChIInChI=1S/C15H23F3N4S2.HI/c1-3-11-9-22(7-8-23-11)14(19-4-2)20-6-5-13-21-12(10-24-13)15(16,17)18;/h10-11H,3-9H2,1-2H3,(H,19,20);1H
InChIKeyYNAQGVQBSWFPCK-UHFFFAOYSA-N
MW508.42 g/mol
LogP4.12
Rot. Bonds5

About N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide

N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 109485327) has the molecular formula C15H24F3IN4S2 and a molecular weight of 508.42 g/mol. Its IUPAC name is N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID109485327
Molecular FormulaC15H24F3IN4S2
Molecular Weight508.42 g/mol
Exact Mass508.04
IUPAC NameN,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCSC(CC)C1.I
InChIInChI=1S/C15H23F3N4S2.HI/c1-3-11-9-22(7-8-23-11)14(19-4-2)20-6-5-13-21-12(10-24-13)15(16,17)18;/h10-11H,3-9H2,1-2H3,(H,19,20);1H
InChIKeyYNAQGVQBSWFPCK-UHFFFAOYSA-N
XLogP4.12
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.42
LogP ≤ 54.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide 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 N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 109485327) is N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is CCN/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCSC(CC)C1.I.
What is the InChIKey of N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is YNAQGVQBSWFPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4S2.HI/c1-3-11-9-22(7-8-23-11)14(19-4-2)20-6-5-13-21-12(10-24-13)15(16,17)18;/h10-11H,3-9H2,1-2H3,(H,19,20);1H.
What are the key properties of N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide?
N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 508.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109485327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).