N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide

C17H14ClN3OS — CID 21178765

IUPACN-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide
SMILESCC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-12(22)19-20-17-21(15-5-3-2-4-6-15)16(11-23-17)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)/b20-17+
InChIKeyUMQHEJSCILNQMK-LVZFUZTISA-N
MW343.84 g/mol
LogP3.81
Rot. Bonds3

About N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide

N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide (PubChem CID 21178765) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide
PubChem CID21178765
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide
SMILESCC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1
InChIInChI=1S/C17H14ClN3OS/c1-12(22)19-20-17-21(15-5-3-2-4-6-15)16(11-23-17)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)/b20-17+
InChIKeyUMQHEJSCILNQMK-LVZFUZTISA-N
XLogP3.81
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide?
The IUPAC name of N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide (CID 21178765) is N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide.
What is the SMILES notation for N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide?
The canonical SMILES for N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide is CC(=O)N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1.
What is the InChIKey of N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide?
The InChIKey is UMQHEJSCILNQMK-LVZFUZTISA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-12(22)19-20-17-21(15-5-3-2-4-6-15)16(11-23-17)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)/b20-17+.
What are the key properties of N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide?
N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide has a molecular weight of 343.84 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(4-chlorophenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]acetamide is sourced from PubChem (CID 21178765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).