N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide

C14H18N6S — CID 111039606

IUPACN'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccc(-n2ccnc2)nc1)N1CCSCC1
InChIInChI=1S/C14H18N6S/c15-14(19-5-7-21-8-6-19)18-10-12-1-2-13(17-9-12)20-4-3-16-11-20/h1-4,9,11H,5-8,10H2,(H2,15,18)
InChIKeySWTBOUGESZVADP-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.13
Rot. Bonds3

About N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide

N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 111039606) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
PubChem CID111039606
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC NameN'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccc(-n2ccnc2)nc1)N1CCSCC1
InChIInChI=1S/C14H18N6S/c15-14(19-5-7-21-8-6-19)18-10-12-1-2-13(17-9-12)20-4-3-16-11-20/h1-4,9,11H,5-8,10H2,(H2,15,18)
InChIKeySWTBOUGESZVADP-UHFFFAOYSA-N
XLogP1.13
TPSA72.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.13
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'}

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Related Compounds

N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850
N'-[(6-chloro-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041968
N'-[[6-(diethylamino)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111048972
N'-[(6-propoxy-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111804494
4-acetyl-N-ethyl-N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 110963877
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048899
N'-[[2-(imidazol-1-ylmethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 119117813
4-(4-fluorophenyl)-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111088513
N'-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide
CID 111051246
N'-[[4-(diethylaminomethyl)phenyl]methyl]thiomorpholine-4-carboximidamide
CID 111036128
2-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111598012
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285

Frequently Asked Questions

What is the IUPAC name of N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide (CID 111039606) is N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide is N/C(=N\Cc1ccc(-n2ccnc2)nc1)N1CCSCC1.
What is the InChIKey of N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is SWTBOUGESZVADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c15-14(19-5-7-21-8-6-19)18-10-12-1-2-13(17-9-12)20-4-3-16-11-20/h1-4,9,11H,5-8,10H2,(H2,15,18).
What are the key properties of N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide?
N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 302.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-imidazol-1-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111039606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).