N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine

C13H14N2OS — CID 18391469

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine
SMILESCOc1ccc([C@H](C)/N=C/c2cncs2)cc1
InChIInChI=1S/C13H14N2OS/c1-10(15-8-13-7-14-9-17-13)11-3-5-12(16-2)6-4-11/h3-10H,1-2H3/b15-8+/t10-/m0/s1
InChIKeyPQUIKQFAZMOHIK-CYANDVJASA-N
MW246.34 g/mol
LogP3.33
Rot. Bonds4

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine (PubChem CID 18391469) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine
PubChem CID18391469
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine
SMILESCOc1ccc([C@H](C)/N=C/c2cncs2)cc1
InChIInChI=1S/C13H14N2OS/c1-10(15-8-13-7-14-9-17-13)11-3-5-12(16-2)6-4-11/h3-10H,1-2H3/b15-8+/t10-/m0/s1
InChIKeyPQUIKQFAZMOHIK-CYANDVJASA-N
XLogP3.33
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

zinc bis(2-[[(1R)-1-(4-methoxyphenyl)ethyl]iminomethyl]phenolate)
CID 139136381
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
CID 22018460
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
1-(2,5-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 10849591
1-[(1S)-1-isothiocyanatoethyl]-4-methoxybenzene
CID 7018251
CID 88961149
CID 88961149
1-(1-azidoethyl)-4-methoxybenzene
CID 13330258

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine (CID 18391469) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine is COc1ccc([C@H](C)/N=C/c2cncs2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine?
The InChIKey is PQUIKQFAZMOHIK-CYANDVJASA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10(15-8-13-7-14-9-17-13)11-3-5-12(16-2)6-4-11/h3-10H,1-2H3/b15-8+/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine has a molecular weight of 246.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 18391469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).