4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine

C16H15N3OS — CID 46918820

IUPAC4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(OC)cc2)n1Cc1ccccn1
InChIInChI=1S/C16H15N3OS/c1-20-14-7-5-12(6-8-14)15-11-21-16(17)19(15)10-13-4-2-3-9-18-13/h2-9,11,17H,10H2,1H3/b17-16-
InChIKeyFFOVSXXDXKIVQI-MSUUIHNZSA-N
MW297.38 g/mol
LogP3.15
Rot. Bonds4

About 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine

4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 46918820) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine
PubChem CID46918820
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\scc(-c2ccc(OC)cc2)n1Cc1ccccn1
InChIInChI=1S/C16H15N3OS/c1-20-14-7-5-12(6-8-14)15-11-21-16(17)19(15)10-13-4-2-3-9-18-13/h2-9,11,17H,10H2,1H3/b17-16-
InChIKeyFFOVSXXDXKIVQI-MSUUIHNZSA-N
XLogP3.15
TPSA50.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one
CID 155932622
3-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2806537
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
4-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazole-2-thione
CID 118668150
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
4-[5-(4-methoxyphenyl)-6-oxo-1-(pyridin-2-ylmethyl)pyrimidin-2-yl]benzonitrile
CID 155932698
5-(4-methoxyphenyl)-1,3-dimethyl-6-(pyridin-2-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
CID 664086
3-benzyl-N-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine;hydrobromide
CID 163332770
4-(1-benzofuran-2-yl)-N-(3-methoxyphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23934250
3-(3-imidazol-1-ylpropyl)-N,4-bis(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 23822799
2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine
CID 141409336
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine (CID 46918820) is 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine is [H]/N=c1\scc(-c2ccc(OC)cc2)n1Cc1ccccn1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is FFOVSXXDXKIVQI-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-20-14-7-5-12(6-8-14)15-11-21-16(17)19(15)10-13-4-2-3-9-18-13/h2-9,11,17H,10H2,1H3/b17-16-.
What are the key properties of 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 297.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 46918820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).