2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

C18H34IN5S — CID 111934768

IUPAC2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1csc(C)n1)NCC(C)(C)N1CCCC(C)C1.I
InChIInChI=1S/C18H33N5S.HI/c1-14-7-6-10-23(11-14)18(3,4)13-21-17(19-5)20-9-8-16-12-24-15(2)22-16;/h12,14H,6-11,13H2,1-5H3,(H2,19,20,21);1H
InChIKeyYVRIHKDTIBGEPD-UHFFFAOYSA-N
MW479.48 g/mol
LogP3.29
Rot. Bonds6

About 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide

2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide (PubChem CID 111934768) has the molecular formula C18H34IN5S and a molecular weight of 479.48 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
PubChem CID111934768
Molecular FormulaC18H34IN5S
Molecular Weight479.48 g/mol
Exact Mass479.16
IUPAC Name2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
SMILESC/N=C(\NCCc1csc(C)n1)NCC(C)(C)N1CCCC(C)C1.I
InChIInChI=1S/C18H33N5S.HI/c1-14-7-6-10-23(11-14)18(3,4)13-21-17(19-5)20-9-8-16-12-24-15(2)22-16;/h12,14H,6-11,13H2,1-5H3,(H2,19,20,21);1H
InChIKeyYVRIHKDTIBGEPD-UHFFFAOYSA-N
XLogP3.29
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-methyl-1-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934314
2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616956
1-(3-cyclopentylpropyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932559
1-(2-cyclohexylethyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932951
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111933752
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111607295
1-ethyl-2-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111932793
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932138
1,2-dimethyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 86777122
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933753
1-(4-cyclopentylbutyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111608892
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide (CID 111934768) is 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide is C/N=C(\NCCc1csc(C)n1)NCC(C)(C)N1CCCC(C)C1.I.
What is the InChIKey of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
The InChIKey is YVRIHKDTIBGEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5S.HI/c1-14-7-6-10-23(11-14)18(3,4)13-21-17(19-5)20-9-8-16-12-24-15(2)22-16;/h12,14H,6-11,13H2,1-5H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide?
2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide has a molecular weight of 479.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111934768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).