N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H16N4OS — CID 9028724

IUPACN-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1nc(C)cs1)c1ccc(N)cc1
InChIInChI=1S/C14H16N4OS/c1-9-8-20-14(16-9)7-13(19)18-17-10(2)11-3-5-12(15)6-4-11/h3-6,8H,7,15H2,1-2H3,(H,18,19)/b17-10-
InChIKeyBVKBGRYHXUTMQE-YVLHZVERSA-N
MW288.38 g/mol
LogP2.12
Rot. Bonds4

About N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9028724) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9028724
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESC/C(=N/NC(=O)Cc1nc(C)cs1)c1ccc(N)cc1
InChIInChI=1S/C14H16N4OS/c1-9-8-20-14(16-9)7-13(19)18-17-10(2)11-3-5-12(15)6-4-11/h3-6,8H,7,15H2,1-2H3,(H,18,19)/b17-10-
InChIKeyBVKBGRYHXUTMQE-YVLHZVERSA-N
XLogP2.12
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 9029885
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029129
2-(4-methyl-1,3-thiazol-2-yl)-N-[(Z)-1-[4-(propylsulfamoyl)phenyl]ethylideneamino]acetamide
CID 9030044
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029099
N-[(Z)-1-(1,3-benzothiazol-2-yl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030305
N-[(Z)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030155
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029761
ethyl 2,4-dimethyl-5-[(E)-C-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)acetyl]amino]carbonimidoyl]-1H-pyrrole-3-carboxylate
CID 135771258
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029766
N-[(Z)-1-[4-(4-ethylpiperazin-4-ium-1-yl)-3-fluorophenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9030019
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N,N'-bis[1-(4-aminophenyl)ethylideneamino]octanediamide
CID 4586480

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9028724) is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is C/C(=N/NC(=O)Cc1nc(C)cs1)c1ccc(N)cc1.
What is the InChIKey of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BVKBGRYHXUTMQE-YVLHZVERSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-9-8-20-14(16-9)7-13(19)18-17-10(2)11-3-5-12(15)6-4-11/h3-6,8H,7,15H2,1-2H3,(H,18,19)/b17-10-.
What are the key properties of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9028724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).