N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide

C14H19N5S — CID 119119846

IUPACN'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCc1ccn2cc(C/N=C(\N)N3CCSCC3)nc2c1
InChIInChI=1S/C14H19N5S/c1-11-2-3-19-10-12(17-13(19)8-11)9-16-14(15)18-4-6-20-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H2,15,16)
InChIKeyVMPLSNONFDYTBP-UHFFFAOYSA-N
MW289.41 g/mol
LogP1.51
Rot. Bonds2

About N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide

N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 119119846) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID119119846
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCc1ccn2cc(C/N=C(\N)N3CCSCC3)nc2c1
InChIInChI=1S/C14H19N5S/c1-11-2-3-19-10-12(17-13(19)8-11)9-16-14(15)18-4-6-20-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H2,15,16)
InChIKeyVMPLSNONFDYTBP-UHFFFAOYSA-N
XLogP1.51
TPSA58.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 51.51
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'-[(6-methyl-2-pyridinyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111062706
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
N'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111813933
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 119121295
N'-[(2-ethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111817688
N'-[(4-hydroxy-3,5-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111067942
N'-[(4-methylsulfanylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 119120285
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]thiomorpholine-4-carboximidamide
CID 111078321
N'-[(4-fluoro-3-methylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111038549
N'-methyl-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130691
3-amino-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]butanamide;dihydrochloride
CID 119860092

Frequently Asked Questions

What is the IUPAC name of N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide (CID 119119846) is N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide is Cc1ccn2cc(C/N=C(\N)N3CCSCC3)nc2c1.
What is the InChIKey of N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is VMPLSNONFDYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11-2-3-19-10-12(17-13(19)8-11)9-16-14(15)18-4-6-20-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H2,15,16).
What are the key properties of N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide?
N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 289.41 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 119119846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).