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

C15H18BrN3O2S — CID 110533418

IUPACN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1c(Br)cc(/C=N\Nc2nc(C)c(C)s2)cc1OC
InChIInChI=1S/C15H18BrN3O2S/c1-5-21-14-12(16)6-11(7-13(14)20-4)8-17-19-15-18-9(2)10(3)22-15/h6-8H,5H2,1-4H3,(H,18,19)/b17-8-
InChIKeyOLSPPUYCJVAHDZ-IUXPMGMMSA-N
MW384.30 g/mol
LogP4.38
Rot. Bonds6

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

N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 110533418) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID110533418
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC NameN-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCCOc1c(Br)cc(/C=N\Nc2nc(C)c(C)s2)cc1OC
InChIInChI=1S/C15H18BrN3O2S/c1-5-21-14-12(16)6-11(7-13(14)20-4)8-17-19-15-18-9(2)10(3)22-15/h6-8H,5H2,1-4H3,(H,18,19)/b17-8-
InChIKeyOLSPPUYCJVAHDZ-IUXPMGMMSA-N
XLogP4.38
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.38
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'}

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Related Compounds

N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110535551
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618406
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 110510809
4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 139030148
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110534352
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-chloroaniline
CID 110506158
N-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618411
N-[(3-bromo-4-butoxy-5-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618778
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 27277699
N-[(Z)-(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110531698
N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110537631

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine (CID 110533418) is N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is CCOc1c(Br)cc(/C=N\Nc2nc(C)c(C)s2)cc1OC.
What is the InChIKey of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is OLSPPUYCJVAHDZ-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-5-21-14-12(16)6-11(7-13(14)20-4)8-17-19-15-18-9(2)10(3)22-15/h6-8H,5H2,1-4H3,(H,18,19)/b17-8-.
What are the key properties of N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 384.30 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110533418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).