N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide

C13H12ClN5O2S — CID 54599213

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)Nc1nccs1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN5O2S/c14-10-3-1-9(2-4-10)7-17-19-11(20)8-16-12(21)18-13-15-5-6-22-13/h1-7H,8H2,(H,19,20)(H2,15,16,18,21)/b17-7+
InChIKeyRYICABPUUHBRDW-REZTVBANSA-N
MW337.79 g/mol
LogP2.07
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide (PubChem CID 54599213) has the molecular formula C13H12ClN5O2S and a molecular weight of 337.79 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide
PubChem CID54599213
Molecular FormulaC13H12ClN5O2S
Molecular Weight337.79 g/mol
Exact Mass337.04
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)Nc1nccs1)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN5O2S/c14-10-3-1-9(2-4-10)7-17-19-11(20)8-16-12(21)18-13-15-5-6-22-13/h1-7H,8H2,(H,19,20)(H2,15,16,18,21)/b17-7+
InChIKeyRYICABPUUHBRDW-REZTVBANSA-N
XLogP2.07
TPSA95.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.07
H-Bond Donors ≤ 53
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

4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide
CID 39353137
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47149786
2-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3436111
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
3-chloro-N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3258784
2,2-dichloro-N-[5-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 6311857
4-(4-chlorophenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23934454
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide (CID 54599213) is N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide is O=C(CNC(=O)Nc1nccs1)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide?
The InChIKey is RYICABPUUHBRDW-REZTVBANSA-N. The full InChI is InChI=1S/C13H12ClN5O2S/c14-10-3-1-9(2-4-10)7-17-19-11(20)8-16-12(21)18-13-15-5-6-22-13/h1-7H,8H2,(H,19,20)(H2,15,16,18,21)/b17-7+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide has a molecular weight of 337.79 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1,3-thiazol-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 54599213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).