4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

C19H14ClN5S — CID 86580278

IUPAC4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C/c3ccc(-n4ccnc4)cc3)n2)cc1
InChIInChI=1S/C19H14ClN5S/c20-16-5-3-15(4-6-16)18-12-26-19(23-18)24-22-11-14-1-7-17(8-2-14)25-10-9-21-13-25/h1-13H,(H,23,24)/b22-11+
InChIKeyBFVYTYWTPRKCCC-SSDVNMTOSA-N
MW379.88 g/mol
LogP5.10
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 86580278) has the molecular formula C19H14ClN5S and a molecular weight of 379.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID86580278
Molecular FormulaC19H14ClN5S
Molecular Weight379.88 g/mol
Exact Mass379.07
IUPAC Name4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(N/N=C/c3ccc(-n4ccnc4)cc3)n2)cc1
InChIInChI=1S/C19H14ClN5S/c20-16-5-3-15(4-6-16)18-12-26-19(23-18)24-22-11-14-1-7-17(8-2-14)25-10-9-21-13-25/h1-13H,(H,23,24)/b22-11+
InChIKeyBFVYTYWTPRKCCC-SSDVNMTOSA-N
XLogP5.10
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.88
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 86580278) is 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C/c3ccc(-n4ccnc4)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BFVYTYWTPRKCCC-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14ClN5S/c20-16-5-3-15(4-6-16)18-12-26-19(23-18)24-22-11-14-1-7-17(8-2-14)25-10-9-21-13-25/h1-13H,(H,23,24)/b22-11+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 379.88 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 86580278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).