2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine

C14H22F3N5OS — CID 111687870

IUPAC2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H22F3N5OS/c15-14(16,17)11-10-24-12(21-11)2-4-20-13(18)19-3-1-5-22-6-8-23-9-7-22/h10H,1-9H2,(H3,18,19,20)
InChIKeyPLTFMOYNHQOWBS-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.33
Rot. Bonds7

About 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine

2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine (PubChem CID 111687870) has the molecular formula C14H22F3N5OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
PubChem CID111687870
Molecular FormulaC14H22F3N5OS
Molecular Weight365.43 g/mol
Exact Mass365.15
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H22F3N5OS/c15-14(16,17)11-10-24-12(21-11)2-4-20-13(18)19-3-1-5-22-6-8-23-9-7-22/h10H,1-9H2,(H3,18,19,20)
InChIKeyPLTFMOYNHQOWBS-UHFFFAOYSA-N
XLogP1.33
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine 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 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine (CID 111687870) is 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine is N/C(=N\CCCN1CCOCC1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
The InChIKey is PLTFMOYNHQOWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5OS/c15-14(16,17)11-10-24-12(21-11)2-4-20-13(18)19-3-1-5-22-6-8-23-9-7-22/h10H,1-9H2,(H3,18,19,20).
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine?
2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine has a molecular weight of 365.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine is sourced from PubChem (CID 111687870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).