2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide

C17H30IN5OS — CID 120661665

IUPAC2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1nc(CN2CCC(C/N=C(\N)N3CCOC(C)C3)CC2)cs1.I
InChIInChI=1S/C17H29N5OS.HI/c1-13-10-22(7-8-23-13)17(18)19-9-15-3-5-21(6-4-15)11-16-12-24-14(2)20-16;/h12-13,15H,3-11H2,1-2H3,(H2,18,19);1H
InChIKeyDEABYAFDCLGPEC-UHFFFAOYSA-N
MW479.43 g/mol
LogP2.32
Rot. Bonds4

About 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661665) has the molecular formula C17H30IN5OS and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120661665
Molecular FormulaC17H30IN5OS
Molecular Weight479.43 g/mol
Exact Mass479.12
IUPAC Name2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1nc(CN2CCC(C/N=C(\N)N3CCOC(C)C3)CC2)cs1.I
InChIInChI=1S/C17H29N5OS.HI/c1-13-10-22(7-8-23-13)17(18)19-9-15-3-5-21(6-4-15)11-16-12-24-14(2)20-16;/h12-13,15H,3-11H2,1-2H3,(H2,18,19);1H
InChIKeyDEABYAFDCLGPEC-UHFFFAOYSA-N
XLogP2.32
TPSA66.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Related Compounds

2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111117688
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 119147279
1-(2,6-diethylphenyl)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111808189
1-(3,4-dimethylphenyl)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111808194
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661472
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210
N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661628
2-methyl-N'-[(3-methylcyclohexyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661395
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 120661665) is 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide is Cc1nc(CN2CCC(C/N=C(\N)N3CCOC(C)C3)CC2)cs1.I.
What is the InChIKey of 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is DEABYAFDCLGPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5OS.HI/c1-13-10-22(7-8-23-13)17(18)19-9-15-3-5-21(6-4-15)11-16-12-24-14(2)20-16;/h12-13,15H,3-11H2,1-2H3,(H2,18,19);1H.
What are the key properties of 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 479.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).