4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

C12H13BrN2OS — CID 113438118

IUPAC4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(N)sc2C)cc1Br
InChIInChI=1S/C12H13BrN2OS/c1-3-16-10-5-4-8(6-9(10)13)11-7(2)17-12(14)15-11/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyGPTNUJKSMQNLRO-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.86
Rot. Bonds3

About 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine

4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 113438118) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID113438118
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2nc(N)sc2C)cc1Br
InChIInChI=1S/C12H13BrN2OS/c1-3-16-10-5-4-8(6-9(10)13)11-7(2)17-12(14)15-11/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyGPTNUJKSMQNLRO-UHFFFAOYSA-N
XLogP3.86
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenoxy]propanoate
CID 28857021
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
3-(3-bromo-4-ethoxyphenyl)-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54850904
2-(3-bromo-4-ethoxyphenyl)-1,3-benzoxazol-5-amine
CID 91673892
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
4-(2-ethoxy-3,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 20983664
4-(1,3-benzoxazol-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 82105993
ethyl 3-[4-(2-amino-5-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydroxypropanoate
CID 171867072

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine (CID 113438118) is 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine is CCOc1ccc(-c2nc(N)sc2C)cc1Br.
What is the InChIKey of 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is GPTNUJKSMQNLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-3-16-10-5-4-8(6-9(10)13)11-7(2)17-12(14)15-11/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine?
4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 313.22 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 113438118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).