2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide

C12H10Cl2N4OS — CID 96890236

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESNc1nc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C12H10Cl2N4OS/c13-8-2-1-7(10(14)3-8)5-16-18-11(19)4-9-6-20-12(15)17-9/h1-3,5-6H,4H2,(H2,15,17)(H,18,19)/b16-5+
InChIKeyAUHHHIRHGCOUAQ-FZSIALSZSA-N
MW329.21 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 96890236) has the molecular formula C12H10Cl2N4OS and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID96890236
Molecular FormulaC12H10Cl2N4OS
Molecular Weight329.21 g/mol
Exact Mass328.00
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESNc1nc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C12H10Cl2N4OS/c13-8-2-1-7(10(14)3-8)5-16-18-11(19)4-9-6-20-12(15)17-9/h1-3,5-6H,4H2,(H2,15,17)(H,18,19)/b16-5+
InChIKeyAUHHHIRHGCOUAQ-FZSIALSZSA-N
XLogP2.72
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.72
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-(2-amino-1,3-thiazol-4-yl)-N-[(Z)-(2-methylsulfanylthiophen-3-yl)methylideneamino]acetamide
CID 6284233
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110340765
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 110337317
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 110338738
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2-butoxyphenyl)methylideneamino]acetamide
CID 110338471
methyl 4-[(E)-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 110337942
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 110337161
2-(5-aminotetrazol-2-yl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 948248
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]acetamide
CID 40547510
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide (CID 96890236) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide is Nc1nc(CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is AUHHHIRHGCOUAQ-FZSIALSZSA-N. The full InChI is InChI=1S/C12H10Cl2N4OS/c13-8-2-1-7(10(14)3-8)5-16-18-11(19)4-9-6-20-12(15)17-9/h1-3,5-6H,4H2,(H2,15,17)(H,18,19)/b16-5+.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 329.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 96890236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).