N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide

C22H23N5O2S — CID 8825779

IUPACN-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC/N=c1\scc(-c2ccc(NC(C)=O)cc2NC(C)=O)n1/N=C\c1ccccc1
InChIInChI=1S/C22H23N5O2S/c1-4-23-22-27(24-13-17-8-6-5-7-9-17)21(14-30-22)19-11-10-18(25-15(2)28)12-20(19)26-16(3)29/h5-14H,4H2,1-3H3,(H,25,28)(H,26,29)/b23-22-,24-13-
InChIKeyFFCYMDOZNMJNCA-RQHQMSFDSA-N
MW421.53 g/mol
LogP3.94
Rot. Bonds6

About N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 8825779) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID8825779
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC NameN-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC/N=c1\scc(-c2ccc(NC(C)=O)cc2NC(C)=O)n1/N=C\c1ccccc1
InChIInChI=1S/C22H23N5O2S/c1-4-23-22-27(24-13-17-8-6-5-7-9-17)21(14-30-22)19-11-10-18(25-15(2)28)12-20(19)26-16(3)29/h5-14H,4H2,1-3H3,(H,25,28)(H,26,29)/b23-22-,24-13-
InChIKeyFFCYMDOZNMJNCA-RQHQMSFDSA-N
XLogP3.94
TPSA87.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-acetamido-4-[2-methylimino-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8825768
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 23738832
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
N-[4-[(Z)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenyl]acetamide
CID 9368181
N-[4-[(E)-[4-(5-fluoro-2-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenyl]acetamide
CID 42937068
4-[(2-ethylimino-4-phenyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23798582
5-[3-[(Z)-(4-acetamidophenyl)methylideneamino]-2-phenylimino-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 6219421
4-(1-benzofuran-2-yl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23939933
(Z)-N-ethyl-4-(2-fluorophenyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 7974902
4-[[4-(2,5-dichlorophenyl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]benzonitrile
CID 23857230
4-(3-bromophenyl)-N-ethyl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23993224

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide (CID 8825779) is N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide is CC/N=c1\scc(-c2ccc(NC(C)=O)cc2NC(C)=O)n1/N=C\c1ccccc1.
What is the InChIKey of N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is FFCYMDOZNMJNCA-RQHQMSFDSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-4-23-22-27(24-13-17-8-6-5-7-9-17)21(14-30-22)19-11-10-18(25-15(2)28)12-20(19)26-16(3)29/h5-14H,4H2,1-3H3,(H,25,28)(H,26,29)/b23-22-,24-13-.
What are the key properties of N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 421.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-[3-[(Z)-benzylideneamino]-2-ethylimino-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 8825779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).