N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

C15H25F3IN5S — CID 109378557

IUPACN'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ncc(C)s1)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C15H24F3N5S.HI/c1-11-10-21-13(24-11)4-5-20-14(19-3)23-8-6-22(7-9-23)12(2)15(16,17)18;/h10,12H,4-9H2,1-3H3,(H,19,20);1H
InChIKeyIEKZAOYNPVCDGJ-UHFFFAOYSA-N
MW491.37 g/mol
LogP2.76
Rot. Bonds4

About N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 109378557) has the molecular formula C15H25F3IN5S and a molecular weight of 491.37 g/mol. Its IUPAC name is N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID109378557
Molecular FormulaC15H25F3IN5S
Molecular Weight491.37 g/mol
Exact Mass491.08
IUPAC NameN'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ncc(C)s1)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C15H24F3N5S.HI/c1-11-10-21-13(24-11)4-5-20-14(19-3)23-8-6-22(7-9-23)12(2)15(16,17)18;/h10,12H,4-9H2,1-3H3,(H,19,20);1H
InChIKeyIEKZAOYNPVCDGJ-UHFFFAOYSA-N
XLogP2.76
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 52.76
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'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-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'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 109378557) is N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1ncc(C)s1)N1CCN(C(C)C(F)(F)F)CC1.I.
What is the InChIKey of N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is IEKZAOYNPVCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5S.HI/c1-11-10-21-13(24-11)4-5-20-14(19-3)23-8-6-22(7-9-23)12(2)15(16,17)18;/h10,12H,4-9H2,1-3H3,(H,19,20);1H.
What are the key properties of N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 491.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109378557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).