4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine

C21H17ClN4S2 — CID 14612316

IUPAC4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C21H17ClN4S2/c1-13-19(28-20(23-13)16-6-4-3-5-7-16)14(2)25-26-21-24-18(12-27-21)15-8-10-17(22)11-9-15/h3-12H,1-2H3,(H,24,26)/b25-14+
InChIKeyBYZCTZSEWWHJIV-AFUMVMLFSA-N
MW424.98 g/mol
LogP6.73
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 14612316) has the molecular formula C21H17ClN4S2 and a molecular weight of 424.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID14612316
Molecular FormulaC21H17ClN4S2
Molecular Weight424.98 g/mol
Exact Mass424.06
IUPAC Name4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1sc(-c2ccccc2)nc1C
InChIInChI=1S/C21H17ClN4S2/c1-13-19(28-20(23-13)16-6-4-3-5-7-16)14(2)25-26-21-24-18(12-27-21)15-8-10-17(22)11-9-15/h3-12H,1-2H3,(H,24,26)/b25-14+
InChIKeyBYZCTZSEWWHJIV-AFUMVMLFSA-N
XLogP6.73
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.98
LogP ≤ 56.73
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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Related Compounds

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CID 6322770
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4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
2-(2-Cyclopentylidenehydrazinyl)-4-(2,4-dichlorophenyl)thiazole
CID 3670544
2-(2-Cyclohexylidenehydrazinyl)-4-(2,4-dichlorophenyl)thiazole
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4-(4-methylphenyl)-N-[(E)-1-(2-phenyl-1,3-thiazol-4-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 5704076
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-N'-pyridin-3-ylmethylene-hydrazine
CID 6006065
1-(2-Thienyl)ethanone [4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazone
CID 6385098
N-[4-(4-Chloro-phenyl)-5-methyl-thiazol-2-yl]-N'-pyridin-3-ylmethylene-hydrazine
CID 9593640
2,4-Dichlorobenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9613031
4-(4-Chlorophenyl)-2-(2-cyclohexylidenehydrazinyl)thiazole
CID 25193523
4-(4-Chlorophenyl)-2-(2-cycloheptylidenehydrazinyl)thiazole
CID 25193733

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 14612316) is 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1sc(-c2ccccc2)nc1C.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BYZCTZSEWWHJIV-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H17ClN4S2/c1-13-19(28-20(23-13)16-6-4-3-5-7-16)14(2)25-26-21-24-18(12-27-21)15-8-10-17(22)11-9-15/h3-12H,1-2H3,(H,24,26)/b25-14+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 424.98 g/mol, XLogP of 6.73, 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)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 14612316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).