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

C19H18BrN3S — CID 127034218

IUPACN-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCC/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1cccc(Br)c1
InChIInChI=1S/C19H18BrN3S/c1-3-17(15-5-4-6-16(20)11-15)22-23-19-21-18(12-24-19)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,21,23)/b22-17+
InChIKeySRJHQLDKKIGRGR-OQKWZONESA-N
MW400.35 g/mol
LogP6.11
Rot. Bonds5

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

N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 127034218) has the molecular formula C19H18BrN3S and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID127034218
Molecular FormulaC19H18BrN3S
Molecular Weight400.35 g/mol
Exact Mass399.04
IUPAC NameN-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCC/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1cccc(Br)c1
InChIInChI=1S/C19H18BrN3S/c1-3-17(15-5-4-6-16(20)11-15)22-23-19-21-18(12-24-19)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,21,23)/b22-17+
InChIKeySRJHQLDKKIGRGR-OQKWZONESA-N
XLogP6.11
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 56.11
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-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
4-(4-bromophenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484377
N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 6371982
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
2-[(E)-C-ethyl-N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]carbonimidoyl]indene-1,3-dione
CID 139216763
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)-[2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethylidene]amino]-1,3-thiazol-2-amine
CID 177457387
(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
4-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-1,3-thiazol-2-amine
CID 66572887
N-[(Z)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 177450317

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 127034218) is N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is CC/C(=N\Nc1nc(-c2ccc(C)cc2)cs1)c1cccc(Br)c1.
What is the InChIKey of N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is SRJHQLDKKIGRGR-OQKWZONESA-N. The full InChI is InChI=1S/C19H18BrN3S/c1-3-17(15-5-4-6-16(20)11-15)22-23-19-21-18(12-24-19)14-9-7-13(2)8-10-14/h4-12H,3H2,1-2H3,(H,21,23)/b22-17+.
What are the key properties of N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine?
N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 400.35 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 127034218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).