N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide

C11H11N3OS — CID 6393763

IUPACN-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide
SMILESCC(=O)N/N=C1/N=C(c2ccccc2)CS1
InChIInChI=1S/C11H11N3OS/c1-8(15)13-14-11-12-10(7-16-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15)/b14-11-
InChIKeyPVAYTLQJLOPDNH-KAMYIIQDSA-N
MW233.30 g/mol
LogP1.63
Rot. Bonds2

About N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide

N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide (PubChem CID 6393763) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide
PubChem CID6393763
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide
SMILESCC(=O)N/N=C1/N=C(c2ccccc2)CS1
InChIInChI=1S/C11H11N3OS/c1-8(15)13-14-11-12-10(7-16-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15)/b14-11-
InChIKeyPVAYTLQJLOPDNH-KAMYIIQDSA-N
XLogP1.63
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((4-Fluorobenzylidene)amino)-6-methyl-6H-1,3,4-thiadiazin-5-OL
CID 9615572
4-Benzylsulfanyl-3-ethyl-1,4-dihydropyrazol-5-one
CID 44246106
(2E)-2-[(Z)-1-(4-prop-1-en-2-ylphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 145970074
(2E)-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135928718
(2Z)-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780054
5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
CID 326574
2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide
CID 134857652
2-[(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
CID 676682
(6S)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
CID 676883
(6R)-2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
CID 676884
2-[(4-fluorophenyl)methylideneamino]-6-methyl-4H-1,3,4-thiadiazin-5-one
CID 4568952
2-[(E)-(4-fluorophenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
CID 9615568

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide?
The IUPAC name of N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide (CID 6393763) is N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide.
What is the SMILES notation for N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide?
The canonical SMILES for N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide is CC(=O)N/N=C1/N=C(c2ccccc2)CS1.
What is the InChIKey of N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide?
The InChIKey is PVAYTLQJLOPDNH-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8(15)13-14-11-12-10(7-16-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,13,15)/b14-11-.
What are the key properties of N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide?
N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide has a molecular weight of 233.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-phenyl-5H-1,3-thiazol-2-ylidene)amino]acetamide is sourced from PubChem (CID 6393763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).