2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide

C14H16N4OS — CID 97002883

IUPAC2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CNc1ccccc1)c1scnc1C
InChIInChI=1S/C14H16N4OS/c1-10-14(20-9-16-10)11(2)17-18-13(19)8-15-12-6-4-3-5-7-12/h3-7,9,15H,8H2,1-2H3,(H,18,19)/b17-11+
InChIKeyBMJFZQOLVITUDP-GZTJUZNOSA-N
MW288.38 g/mol
LogP2.40
Rot. Bonds5

About 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide

2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide (PubChem CID 97002883) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide
PubChem CID97002883
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CNc1ccccc1)c1scnc1C
InChIInChI=1S/C14H16N4OS/c1-10-14(20-9-16-10)11(2)17-18-13(19)8-15-12-6-4-3-5-7-12/h3-7,9,15H,8H2,1-2H3,(H,18,19)/b17-11+
InChIKeyBMJFZQOLVITUDP-GZTJUZNOSA-N
XLogP2.40
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-anilino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]acetamide
CID 7933313
2-anilino-N-[(Z)-butan-2-ylideneamino]acetamide
CID 7933305
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
2-anilino-N-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)ethylideneamino]acetamide
CID 48917207
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylidenehydrazinylidene]-1,2-diphenylethanone
CID 126810323
(Z)-N-(benzhydrylideneamino)-1-(4-methyl-1,3-thiazol-5-yl)ethanimine
CID 75466690
4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
CID 64991557
2-(4-methylanilino)-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]acetamide
CID 9143872
2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035563

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide (CID 97002883) is 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CNc1ccccc1)c1scnc1C.
What is the InChIKey of 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide?
The InChIKey is BMJFZQOLVITUDP-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-14(20-9-16-10)11(2)17-18-13(19)8-15-12-6-4-3-5-7-12/h3-7,9,15H,8H2,1-2H3,(H,18,19)/b17-11+.
What are the key properties of 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide?
2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-1-(4-methyl-1,3-thiazol-5-yl)ethylideneamino]acetamide is sourced from PubChem (CID 97002883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).