1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide

C19H21Br2N3S — CID 2877699

IUPAC1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
SMILESBr.CCN(CC)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H20BrN3S.BrH/c1-3-23(4-2)17-11-9-16(10-12-17)21-19-22-18(13-24-19)14-5-7-15(20)8-6-14;/h5-13H,3-4H2,1-2H3,(H,21,22);1H
InChIKeyOJGUKWDAQZNARW-UHFFFAOYSA-N
MW483.27 g/mol
LogP6.74
Rot. Bonds6

About 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide

1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide (PubChem CID 2877699) has the molecular formula C19H21Br2N3S and a molecular weight of 483.27 g/mol. Its IUPAC name is 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
PubChem CID2877699
Molecular FormulaC19H21Br2N3S
Molecular Weight483.27 g/mol
Exact Mass480.98
IUPAC Name1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
SMILESBr.CCN(CC)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1
InChIInChI=1S/C19H20BrN3S.BrH/c1-3-23(4-2)17-11-9-16(10-12-17)21-19-22-18(13-24-19)14-5-7-15(20)8-6-14;/h5-13H,3-4H2,1-2H3,(H,21,22);1H
InChIKeyOJGUKWDAQZNARW-UHFFFAOYSA-N
XLogP6.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.27
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 40816768
1-N-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 58910581
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
4-[4-(diethylamino)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-amine
CID 58910493
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798
N-(4-bromophenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910449
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-(4-bromophenyl)-4-ethyl-1,3-thiazol-2-amine
CID 22347320
N-(4-bromophenyl)-4-[5-(4-bromophenyl)furan-2-yl]-1,3-thiazol-2-amine
CID 4683115
N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877527

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide?
The IUPAC name of 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide (CID 2877699) is 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide.
What is the SMILES notation for 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide?
The canonical SMILES for 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide is Br.CCN(CC)c1ccc(Nc2nc(-c3ccc(Br)cc3)cs2)cc1.
What is the InChIKey of 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide?
The InChIKey is OJGUKWDAQZNARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3S.BrH/c1-3-23(4-2)17-11-9-16(10-12-17)21-19-22-18(13-24-19)14-5-7-15(20)8-6-14;/h5-13H,3-4H2,1-2H3,(H,21,22);1H.
What are the key properties of 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide?
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide has a molecular weight of 483.27 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide is sourced from PubChem (CID 2877699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).