N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide

C13H21N5S — CID 119121295

IUPACN'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1cn2c(n1)CCCC2)N1CCSCC1
InChIInChI=1S/C13H21N5S/c14-13(17-5-7-19-8-6-17)15-9-11-10-18-4-2-1-3-12(18)16-11/h10H,1-9H2,(H2,14,15)
InChIKeyFZQLSMMCAOLUGX-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.08
Rot. Bonds2

About N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide

N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide (PubChem CID 119121295) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
PubChem CID119121295
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1cn2c(n1)CCCC2)N1CCSCC1
InChIInChI=1S/C13H21N5S/c14-13(17-5-7-19-8-6-17)15-9-11-10-18-4-2-1-3-12(18)16-11/h10H,1-9H2,(H2,14,15)
InChIKeyFZQLSMMCAOLUGX-UHFFFAOYSA-N
XLogP1.08
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.08
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'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119121254
1-(4-ethylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121272
1-(2-methoxyethyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119121242
N'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide
CID 119119846
5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethylhydrazine
CID 146157907
2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955498
1-(2,5-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121281
N'-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111080490
N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111813933
N'-[(4-hydroxy-3,5-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111067942
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]thiomorpholine-4-carboximidamide
CID 120663168

Frequently Asked Questions

What is the IUPAC name of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide (CID 119121295) is N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide is N/C(=N\Cc1cn2c(n1)CCCC2)N1CCSCC1.
What is the InChIKey of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide?
The InChIKey is FZQLSMMCAOLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c14-13(17-5-7-19-8-6-17)15-9-11-10-18-4-2-1-3-12(18)16-11/h10H,1-9H2,(H2,14,15).
What are the key properties of N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide?
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide has a molecular weight of 279.41 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119121295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).