N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C19H18BrN3S — CID 110532425

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccccc3Br)n2)c(C)c1
InChIInChI=1S/C19H18BrN3S/c1-12-8-13(2)18(14(3)9-12)17-11-24-19(22-17)23-21-10-15-6-4-5-7-16(15)20/h4-11H,1-3H3,(H,22,23)/b21-10-
InChIKeyJPICRGUZMVPPKY-FBHDLOMBSA-N
MW400.35 g/mol
LogP5.94
Rot. Bonds4

About N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 110532425) has the molecular formula C19H18BrN3S and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID110532425
Molecular FormulaC19H18BrN3S
Molecular Weight400.35 g/mol
Exact Mass399.04
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccccc3Br)n2)c(C)c1
InChIInChI=1S/C19H18BrN3S/c1-12-8-13(2)18(14(3)9-12)17-11-24-19(22-17)23-21-10-15-6-4-5-7-16(15)20/h4-11H,1-3H3,(H,22,23)/b21-10-
InChIKeyJPICRGUZMVPPKY-FBHDLOMBSA-N
XLogP5.94
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 55.94
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-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533144
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531376
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110535752
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531375
4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110534753
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533759
N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532880
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
N-methyl-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 60642187

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 110532425) is N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(-c2csc(N/N=C\c3ccccc3Br)n2)c(C)c1.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is JPICRGUZMVPPKY-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H18BrN3S/c1-12-8-13(2)18(14(3)9-12)17-11-24-19(22-17)23-21-10-15-6-4-5-7-16(15)20/h4-11H,1-3H3,(H,22,23)/b21-10-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 400.35 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110532425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).