(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

C15H18N4S — CID 6861842

IUPAC(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCc1ccsc1/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H18N4S/c1-13-5-11-20-14(13)12-17-19-9-7-18(8-10-19)15-4-2-3-6-16-15/h2-6,11-12H,7-10H2,1H3/b17-12+
InChIKeySQKDNYFKHLGFCS-SFQUDFHCSA-N
MW286.40 g/mol
LogP2.61
Rot. Bonds3

About (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine

(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (PubChem CID 6861842) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
PubChem CID6861842
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
SMILESCc1ccsc1/C=N/N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H18N4S/c1-13-5-11-20-14(13)12-17-19-9-7-18(8-10-19)15-4-2-3-6-16-15/h2-6,11-12H,7-10H2,1H3/b17-12+
InChIKeySQKDNYFKHLGFCS-SFQUDFHCSA-N
XLogP2.61
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5413994
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6896964
2,6-ditert-butyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135609546
2-ethoxy-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135457671
(Z)-1-(2,4-dichlorophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5402226
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
2-ethoxy-6-[(Z)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 135928779
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
4-[C-ethyl-N-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]phenol
CID 886973

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine (CID 6861842) is (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is Cc1ccsc1/C=N/N1CCN(c2ccccn2)CC1.
What is the InChIKey of (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
The InChIKey is SQKDNYFKHLGFCS-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H18N4S/c1-13-5-11-20-14(13)12-17-19-9-7-18(8-10-19)15-4-2-3-6-16-15/h2-6,11-12H,7-10H2,1H3/b17-12+.
What are the key properties of (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine?
(E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine has a molecular weight of 286.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylthiophen-2-yl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine is sourced from PubChem (CID 6861842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).