N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

C14H16BrN3O2S — CID 110534352

IUPACN-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCOc1cc(Br)cc(/C=N\Nc2nc(C)c(C)s2)c1OC
InChIInChI=1S/C14H16BrN3O2S/c1-8-9(2)21-14(17-8)18-16-7-10-5-11(15)6-12(19-3)13(10)20-4/h5-7H,1-4H3,(H,17,18)/b16-7-
InChIKeyRGPXJRFDPKIWNV-APSNUPSMSA-N
MW370.27 g/mol
LogP3.99
Rot. Bonds5

About N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine

N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 110534352) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID110534352
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC NameN-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCOc1cc(Br)cc(/C=N\Nc2nc(C)c(C)s2)c1OC
InChIInChI=1S/C14H16BrN3O2S/c1-8-9(2)21-14(17-8)18-16-7-10-5-11(15)6-12(19-3)13(10)20-4/h5-7H,1-4H3,(H,17,18)/b16-7-
InChIKeyRGPXJRFDPKIWNV-APSNUPSMSA-N
XLogP3.99
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-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

Related Compounds

N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110533418
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]aniline
CID 110504857
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
N-[(3-bromophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 2787959
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27267620
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110537631
2-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135588614
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-methyl-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535168
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
4-bromo-2-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4244298
N-[(E)-(2-methoxyphenyl)methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 96886431

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 110534352) is N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is COc1cc(Br)cc(/C=N\Nc2nc(C)c(C)s2)c1OC.
What is the InChIKey of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RGPXJRFDPKIWNV-APSNUPSMSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-8-9(2)21-14(17-8)18-16-7-10-5-11(15)6-12(19-3)13(10)20-4/h5-7H,1-4H3,(H,17,18)/b16-7-.
What are the key properties of N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 370.27 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110534352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).