N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine

C19H18ClN3S — CID 3136078

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NN=C(C)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H18ClN3S/c1-3-14-4-6-16(7-5-14)18-12-24-19(21-18)23-22-13(2)15-8-10-17(20)11-9-15/h4-12H,3H2,1-2H3,(H,21,23)
InChIKeyUKZOWVKHMKAFGD-UHFFFAOYSA-N
MW355.89 g/mol
LogP5.86
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine

N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine (PubChem CID 3136078) has the molecular formula C19H18ClN3S and a molecular weight of 355.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
PubChem CID3136078
Molecular FormulaC19H18ClN3S
Molecular Weight355.89 g/mol
Exact Mass355.09
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(NN=C(C)c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H18ClN3S/c1-3-14-4-6-16(7-5-14)18-12-24-19(21-18)23-22-13(2)15-8-10-17(20)11-9-15/h4-12H,3H2,1-2H3,(H,21,23)
InChIKeyUKZOWVKHMKAFGD-UHFFFAOYSA-N
XLogP5.86
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.89
LogP ≤ 55.86
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

N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 6371982
4-[C-methyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]phenol
CID 4232846
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
4-(4-chlorophenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]-1,3-thiazol-2-amine
CID 90486882
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
2-[(E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-C-methylcarbonimidoyl]benzene-1,3,5-triol
CID 136503698
4-[2-[(2E)-2-[1-(3,4-dichlorophenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 171978845

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine (CID 3136078) is N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine is CCc1ccc(-c2csc(NN=C(C)c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is UKZOWVKHMKAFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3S/c1-3-14-4-6-16(7-5-14)18-12-24-19(21-18)23-22-13(2)15-8-10-17(20)11-9-15/h4-12H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine?
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 355.89 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3136078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).