4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide

C18H24FN5S — CID 110032524

IUPAC4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H24FN5S/c1-13(17-22-14(2)12-25-17)11-21-18(20)24-9-7-23(8-10-24)16-5-3-15(19)4-6-16/h3-6,12-13H,7-11H2,1-2H3,(H2,20,21)
InChIKeyVBAAYVFLOLBXFN-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.83
Rot. Bonds4

About 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide (PubChem CID 110032524) has the molecular formula C18H24FN5S and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
PubChem CID110032524
Molecular FormulaC18H24FN5S
Molecular Weight361.49 g/mol
Exact Mass361.17
IUPAC Name4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H24FN5S/c1-13(17-22-14(2)12-25-17)11-21-18(20)24-9-7-23(8-10-24)16-5-3-15(19)4-6-16/h3-6,12-13H,7-11H2,1-2H3,(H2,20,21)
InChIKeyVBAAYVFLOLBXFN-UHFFFAOYSA-N
XLogP2.83
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.83
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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Related Compounds

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 136530651
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 110032546
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110032535
4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111816893
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111097686
4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111802248
2-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111083309
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 111029896
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
4-(4-fluorophenyl)-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide;hydroiodide
CID 111822733

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide (CID 110032524) is 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide is Cc1csc(C(C)C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide?
The InChIKey is VBAAYVFLOLBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5S/c1-13(17-22-14(2)12-25-17)11-21-18(20)24-9-7-23(8-10-24)16-5-3-15(19)4-6-16/h3-6,12-13H,7-11H2,1-2H3,(H2,20,21).
What are the key properties of 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide has a molecular weight of 361.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110032524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).