N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide

C17H16N4OS2 — CID 9368181

IUPACN-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
SMILESC/N=c1\scc(-c2cccs2)n1/N=C\c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H16N4OS2/c1-12(22)20-14-7-5-13(6-8-14)10-19-21-15(11-24-17(21)18-2)16-4-3-9-23-16/h3-11H,1-2H3,(H,20,22)/b18-17-,19-10-
InChIKeyAHJQRHJTPKWBDS-IAZSKANUSA-N
MW356.48 g/mol
LogP3.65
Rot. Bonds4

About N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide

N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide (PubChem CID 9368181) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
PubChem CID9368181
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
SMILESC/N=c1\scc(-c2cccs2)n1/N=C\c1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H16N4OS2/c1-12(22)20-14-7-5-13(6-8-14)10-19-21-15(11-24-17(21)18-2)16-4-3-9-23-16/h3-11H,1-2H3,(H,20,22)/b18-17-,19-10-
InChIKeyAHJQRHJTPKWBDS-IAZSKANUSA-N
XLogP3.65
TPSA58.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.65
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-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
CID 42937068
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884154
5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 6219421
3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23996342
4-[(2-phenylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23910735
N-[3-acetamido-4-[2-methylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825768
N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825779
3-[1-(2-chlorophenyl)ethylideneamino]-N-methyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23910396
N-methyl-4-(4-nitrophenyl)-3-[(4-nitrophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23850330
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
N-(4-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23795654
2-ethoxy-4-[[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135676743

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide (CID 9368181) is N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide is C/N=c1\scc(-c2cccs2)n1/N=C\c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide?
The InChIKey is AHJQRHJTPKWBDS-IAZSKANUSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-12(22)20-14-7-5-13(6-8-14)10-19-21-15(11-24-17(21)18-2)16-4-3-9-23-16/h3-11H,1-2H3,(H,20,22)/b18-17-,19-10-.
What are the key properties of N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide?
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide has a molecular weight of 356.48 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide is sourced from PubChem (CID 9368181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).