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

C11H16F3IN4OS — CID 111820871

IUPACN'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCOCC1
InChIInChI=1S/C11H15F3N4OS.HI/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);1H
InChIKeyYDLXTTLHDVAQOB-UHFFFAOYSA-N
MW436.24 g/mol
LogP1.97
Rot. Bonds3

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

N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111820871) has the molecular formula C11H16F3IN4OS and a molecular weight of 436.24 g/mol. Its IUPAC name is N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111820871
Molecular FormulaC11H16F3IN4OS
Molecular Weight436.24 g/mol
Exact Mass436.00
IUPAC NameN'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCc1nc(C(F)(F)F)cs1)N1CCOCC1
InChIInChI=1S/C11H15F3N4OS.HI/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);1H
InChIKeyYDLXTTLHDVAQOB-UHFFFAOYSA-N
XLogP1.97
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.24
LogP ≤ 51.97
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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-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

Related Compounds

4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 1477932
(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 136589466
4-Methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53529978
4-Methyl-2-[2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53620641
4-methyl-2-[(2S)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 95345942
4-methyl-2-[(2R)-2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 98761299
N-ethyl-4-(3-methoxypropoxy)-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109508464
4-(3-methoxypropoxy)-N'-methyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109511990
1-[2-(Cyclopropylmethoxy)ethyl]-3-ethyl-1-methyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109651256
1-[2-(Cyclopropylmethoxy)ethyl]-3-ethyl-1-methyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109651257
1-[2-(Cyclopropylmethoxy)ethyl]-1,2-dimethyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109652188
1-[2-(Cyclopropylmethoxy)ethyl]-1,2-dimethyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109652189

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111820871) is N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide is I.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;hydroiodide?
The InChIKey is YDLXTTLHDVAQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS.HI/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);1H.
What are the key properties of N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 436.24 g/mol, XLogP of 1.97, 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;hydroiodide is sourced from PubChem (CID 111820871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).