6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine

C18H23N5OS — CID 145386180

IUPAC6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine
SMILESC=N/C(=C\SCNc1ccc(OC)nc1)c1c(C)nc2n1CCCC2
InChIInChI=1S/C18H23N5OS/c1-13-18(23-9-5-4-6-16(23)22-13)15(19-2)11-25-12-21-14-7-8-17(24-3)20-10-14/h7-8,10-11,21H,2,4-6,9,12H2,1,3H3/b15-11-
InChIKeyJUZAZLASQXMSSE-PTNGSMBKSA-N
MW357.48 g/mol
LogP3.73
Rot. Bonds7

About 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine

6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine (PubChem CID 145386180) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine
PubChem CID145386180
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine
SMILESC=N/C(=C\SCNc1ccc(OC)nc1)c1c(C)nc2n1CCCC2
InChIInChI=1S/C18H23N5OS/c1-13-18(23-9-5-4-6-16(23)22-13)15(19-2)11-25-12-21-14-7-8-17(24-3)20-10-14/h7-8,10-11,21H,2,4-6,9,12H2,1,3H3/b15-11-
InChIKeyJUZAZLASQXMSSE-PTNGSMBKSA-N
XLogP3.73
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine with MolForge

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Related Compounds

[(Z)-2-(methylideneamino)-2-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]ethenyl]sulfanylmethanol
CID 145385952
6-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridin-3-amine
CID 43755835
N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
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6-methoxy-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyridine-3-carboxamide
CID 41489560
2-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]-1-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
CID 71601993
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060
N-(2-bromoprop-2-enyl)-6-methoxypyridin-3-amine
CID 60873566
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 75479801
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 55099888
N-(6-methoxy-3-pyridinyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53370439
6-methoxy-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 62326998

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine (CID 145386180) is 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine is C=N/C(=C\SCNc1ccc(OC)nc1)c1c(C)nc2n1CCCC2.
What is the InChIKey of 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine?
The InChIKey is JUZAZLASQXMSSE-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-13-18(23-9-5-4-6-16(23)22-13)15(19-2)11-25-12-21-14-7-8-17(24-3)20-10-14/h7-8,10-11,21H,2,4-6,9,12H2,1,3H3/b15-11-.
What are the key properties of 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine?
6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine has a molecular weight of 357.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[(Z)-2-(methylideneamino)-2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethenyl]sulfanylmethyl]pyridin-3-amine is sourced from PubChem (CID 145386180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).