N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide

C20H19FN4O2S — CID 42937068

IUPACN-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
SMILESC/N=c1\scc(-c2cc(F)ccc2OC)n1/N=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H19FN4O2S/c1-13(26)24-16-7-4-14(5-8-16)11-23-25-18(12-28-20(25)22-2)17-10-15(21)6-9-19(17)27-3/h4-12H,1-3H3,(H,24,26)/b22-20-,23-11+
InChIKeyDGHJPYCQNFTJDG-KXYWVBGFSA-N
MW398.46 g/mol
LogP3.74
Rot. Bonds5

About N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide

N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide (PubChem CID 42937068) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
PubChem CID42937068
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
SMILESC/N=c1\scc(-c2cc(F)ccc2OC)n1/N=C/c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H19FN4O2S/c1-13(26)24-16-7-4-14(5-8-16)11-23-25-18(12-28-20(25)22-2)17-10-15(21)6-9-19(17)27-3/h4-12H,1-3H3,(H,24,26)/b22-20-,23-11+
InChIKeyDGHJPYCQNFTJDG-KXYWVBGFSA-N
XLogP3.74
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
4-(2,5-dimethoxyphenyl)-N-methyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23879982
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
2,6-dibromo-4-[[4-(2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135843358
2-[[4-(2,5-dimethoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135592033
N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825779
2-[[2-(2,4-difluorophenyl)imino-4-(2,5-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135709905
N-[3-acetamido-4-[2-methylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825768
4-[(E)-[4-(2,4-dichlorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 135849491
4-(2,4-dimethoxyphenyl)-3-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23800240
4-(2,5-dimethoxyphenyl)-3-[(2-iodophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23855315
4-(2-methoxyphenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23824278

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide (CID 42937068) is N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide is C/N=c1\scc(-c2cc(F)ccc2OC)n1/N=C/c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide?
The InChIKey is DGHJPYCQNFTJDG-KXYWVBGFSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-13(26)24-16-7-4-14(5-8-16)11-23-25-18(12-28-20(25)22-2)17-10-15(21)6-9-19(17)27-3/h4-12H,1-3H3,(H,24,26)/b22-20-,23-11+.
What are the key properties of N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide?
N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide is sourced from PubChem (CID 42937068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).