4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine

C18H15BrClN3S — CID 3499419

IUPAC4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
SMILESCCC(=NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15BrClN3S/c1-2-16(12-5-9-15(20)10-6-12)22-23-18-21-17(11-24-18)13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,21,23)
InChIKeyVMMYFEYLXZGTFQ-UHFFFAOYSA-N
MW420.76 g/mol
LogP6.45
Rot. Bonds5

About 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine (PubChem CID 3499419) has the molecular formula C18H15BrClN3S and a molecular weight of 420.76 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
PubChem CID3499419
Molecular FormulaC18H15BrClN3S
Molecular Weight420.76 g/mol
Exact Mass418.99
IUPAC Name4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
SMILESCCC(=NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15BrClN3S/c1-2-16(12-5-9-15(20)10-6-12)22-23-18-21-17(11-24-18)13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,21,23)
InChIKeyVMMYFEYLXZGTFQ-UHFFFAOYSA-N
XLogP6.45
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.76
LogP ≤ 56.45
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-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 6371982
N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127034218
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
CID 66572887
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
N-[(Z)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 177450317
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-(4-chlorophenyl)-N-(1,3-diphenylpropan-2-ylideneamino)-1,3-thiazol-2-amine
CID 25014803
4-(4-chlorophenyl)-N-[(Z)-1-(4,5-dimethoxy-2-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 6114841

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine (CID 3499419) is 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine is CCC(=NNc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine?
The InChIKey is VMMYFEYLXZGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3S/c1-2-16(12-5-9-15(20)10-6-12)22-23-18-21-17(11-24-18)13-3-7-14(19)8-4-13/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine has a molecular weight of 420.76 g/mol, XLogP of 6.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 3499419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).