N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C17H14BrN3S — CID 168578465

IUPACN-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(Br)ccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14BrN3S/c1-12-9-15(18)8-7-14(12)10-19-21-17-20-16(11-22-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyUNEVRGXJWQZHNY-UHFFFAOYSA-N
MW372.29 g/mol
LogP5.33
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168578465) has the molecular formula C17H14BrN3S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168578465
Molecular FormulaC17H14BrN3S
Molecular Weight372.29 g/mol
Exact Mass371.01
IUPAC NameN-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1cc(Br)ccc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H14BrN3S/c1-12-9-15(18)8-7-14(12)10-19-21-17-20-16(11-22-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyUNEVRGXJWQZHNY-UHFFFAOYSA-N
XLogP5.33
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.29
LogP ≤ 55.33
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-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845153
[3-methyl-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168578894
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578768
N-[(2-methyl-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577174
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
4-(4-bromophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6291023
2-[4-bromo-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 168576917
N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578871
2-bromo-3-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577518

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168578465) is N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Cc1cc(Br)ccc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is UNEVRGXJWQZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3S/c1-12-9-15(18)8-7-14(12)10-19-21-17-20-16(11-22-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21).
What are the key properties of N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 372.29 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168578465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).