4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine

C19H17Br2N3S — CID 127032477

IUPAC4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine
SMILESCC/C(=N\Nc1nc(-c2ccc(Br)cc2)c(C)s1)c1cccc(Br)c1
InChIInChI=1S/C19H17Br2N3S/c1-3-17(14-5-4-6-16(21)11-14)23-24-19-22-18(12(2)25-19)13-7-9-15(20)10-8-13/h4-11H,3H2,1-2H3,(H,22,24)/b23-17+
InChIKeyKSHWVRCRSZMJSE-HAVVHWLPSA-N
MW479.24 g/mol
LogP6.87
Rot. Bonds5

About 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine

4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine (PubChem CID 127032477) has the molecular formula C19H17Br2N3S and a molecular weight of 479.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine
PubChem CID127032477
Molecular FormulaC19H17Br2N3S
Molecular Weight479.24 g/mol
Exact Mass476.95
IUPAC Name4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine
SMILESCC/C(=N\Nc1nc(-c2ccc(Br)cc2)c(C)s1)c1cccc(Br)c1
InChIInChI=1S/C19H17Br2N3S/c1-3-17(14-5-4-6-16(21)11-14)23-24-19-22-18(12(2)25-19)13-7-9-15(20)10-8-13/h4-11H,3H2,1-2H3,(H,22,24)/b23-17+
InChIKeyKSHWVRCRSZMJSE-HAVVHWLPSA-N
XLogP6.87
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.24
LogP ≤ 56.87
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'}

Analyze 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine (CID 127032477) is 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine is CC/C(=N\Nc1nc(-c2ccc(Br)cc2)c(C)s1)c1cccc(Br)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is KSHWVRCRSZMJSE-HAVVHWLPSA-N. The full InChI is InChI=1S/C19H17Br2N3S/c1-3-17(14-5-4-6-16(21)11-14)23-24-19-22-18(12(2)25-19)13-7-9-15(20)10-8-13/h4-11H,3H2,1-2H3,(H,22,24)/b23-17+.
What are the key properties of 4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 479.24 g/mol, XLogP of 6.87, 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-[(E)-1-(3-bromophenyl)propylideneamino]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 127032477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).