4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C13H15BrN2O2S — CID 8962099

IUPAC4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(OC)c(Br)c2)cs1
InChIInChI=1S/C13H15BrN2O2S/c1-17-6-5-15-13-16-11(8-19-13)9-3-4-12(18-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyCXOFBDGNKRZYNL-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.64
Rot. Bonds6

About 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 8962099) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID8962099
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccc(OC)c(Br)c2)cs1
InChIInChI=1S/C13H15BrN2O2S/c1-17-6-5-15-13-16-11(8-19-13)9-3-4-12(18-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyCXOFBDGNKRZYNL-UHFFFAOYSA-N
XLogP3.64
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 1391807
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]acetamide
CID 5230077
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-methoxybenzamide
CID 5093643
4-(4-bromo-2-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 82963455
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
CID 2066122
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
CID 47061837
3-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965577
1-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966426

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 8962099) is 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is COCCNc1nc(-c2ccc(OC)c(Br)c2)cs1.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is CXOFBDGNKRZYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-17-6-5-15-13-16-11(8-19-13)9-3-4-12(18-2)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 343.25 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8962099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).