4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine

C19H15Cl2N3S — CID 5027423

IUPAC4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCC(C=Cc1ccccc1)=NNc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C19H15Cl2N3S/c1-13(7-8-14-5-3-2-4-6-14)23-24-19-22-18(12-25-19)16-10-9-15(20)11-17(16)21/h2-12H,1H3,(H,22,24)
InChIKeyQARLHZOBZXXGCM-UHFFFAOYSA-N
MW388.32 g/mol
LogP6.62
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine (PubChem CID 5027423) has the molecular formula C19H15Cl2N3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
PubChem CID5027423
Molecular FormulaC19H15Cl2N3S
Molecular Weight388.32 g/mol
Exact Mass387.04
IUPAC Name4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCC(C=Cc1ccccc1)=NNc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C19H15Cl2N3S/c1-13(7-8-14-5-3-2-4-6-14)23-24-19-22-18(12-25-19)16-10-9-15(20)11-17(16)21/h2-12H,1H3,(H,22,24)
InChIKeyQARLHZOBZXXGCM-UHFFFAOYSA-N
XLogP6.62
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 2875908
4-(2,4-dichlorophenyl)-N-[(E)-heptan-2-ylideneamino]-1,3-thiazol-2-amine
CID 71739546
3-[[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3741359
4-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138875
(E)-3-(4-aminophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 84560348
4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
4-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 3138865
4-(2,4-dichlorophenyl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazol-2-amine
CID 6862717
1-[(E)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135648455
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 126061876
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine (CID 5027423) is 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine is CC(C=Cc1ccccc1)=NNc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
The InChIKey is QARLHZOBZXXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3S/c1-13(7-8-14-5-3-2-4-6-14)23-24-19-22-18(12-25-19)16-10-9-15(20)11-17(16)21/h2-12H,1H3,(H,22,24).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine has a molecular weight of 388.32 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 5027423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).