2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide

C15H20F3IN6S — CID 119141274

IUPAC2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1cn2c(n1)CCCC2)NCc1nc(C(F)(F)F)cs1.I
InChIInChI=1S/C15H19F3N6S.HI/c1-19-14(21-7-13-23-11(9-25-13)15(16,17)18)20-6-10-8-24-5-3-2-4-12(24)22-10;/h8-9H,2-7H2,1H3,(H2,19,20,21);1H
InChIKeyRNLVZJQOUXUUID-UHFFFAOYSA-N
MW500.33 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide

2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide (PubChem CID 119141274) has the molecular formula C15H20F3IN6S and a molecular weight of 500.33 g/mol. Its IUPAC name is 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
PubChem CID119141274
Molecular FormulaC15H20F3IN6S
Molecular Weight500.33 g/mol
Exact Mass500.05
IUPAC Name2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1cn2c(n1)CCCC2)NCc1nc(C(F)(F)F)cs1.I
InChIInChI=1S/C15H19F3N6S.HI/c1-19-14(21-7-13-23-11(9-25-13)15(16,17)18)20-6-10-8-24-5-3-2-4-12(24)22-10;/h8-9H,2-7H2,1H3,(H2,19,20,21);1H
InChIKeyRNLVZJQOUXUUID-UHFFFAOYSA-N
XLogP3.18
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide (CID 119141274) is 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide is C/N=C(/NCc1cn2c(n1)CCCC2)NCc1nc(C(F)(F)F)cs1.I.
What is the InChIKey of 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is RNLVZJQOUXUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6S.HI/c1-19-14(21-7-13-23-11(9-25-13)15(16,17)18)20-6-10-8-24-5-3-2-4-12(24)22-10;/h8-9H,2-7H2,1H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide?
2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 500.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 119141274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).