4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane

C21H25BrN2OS — CID 145132854

IUPAC4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane
SMILESCC.CCOCc1ccc(C)c(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H19BrN2OS.C2H6/c1-3-23-11-14-5-4-13(2)17(10-14)21-19-22-18(12-24-19)15-6-8-16(20)9-7-15;1-2/h4-10,12H,3,11H2,1-2H3,(H,21,22);1-2H3
InChIKeyMTBJKQKJTIQTRK-UHFFFAOYSA-N
MW433.42 g/mol
LogP7.19
Rot. Bonds6

About 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane

4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane (PubChem CID 145132854) has the molecular formula C21H25BrN2OS and a molecular weight of 433.42 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane
PubChem CID145132854
Molecular FormulaC21H25BrN2OS
Molecular Weight433.42 g/mol
Exact Mass432.09
IUPAC Name4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane
SMILESCC.CCOCc1ccc(C)c(Nc2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H19BrN2OS.C2H6/c1-3-23-11-14-5-4-13(2)17(10-14)21-19-22-18(12-24-19)15-6-8-16(20)9-7-15;1-2/h4-10,12H,3,11H2,1-2H3,(H,21,22);1-2H3
InChIKeyMTBJKQKJTIQTRK-UHFFFAOYSA-N
XLogP7.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 1211245
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059283
1-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethylbenzene-1,4-diamine;hydrobromide
CID 2877699
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
2-(4-bromophenyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7915491
1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 93206370
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
ethyl 1-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]cyclobutane-1-carboxylate
CID 86618583
4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685
4-(4-aminophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-thiazol-2-amine
CID 82028308
4-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 5076163

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane?
The IUPAC name of 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane (CID 145132854) is 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane.
What is the SMILES notation for 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane?
The canonical SMILES for 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane is CC.CCOCc1ccc(C)c(Nc2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane?
The InChIKey is MTBJKQKJTIQTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2OS.C2H6/c1-3-23-11-14-5-4-13(2)17(10-14)21-19-22-18(12-24-19)15-6-8-16(20)9-7-15;1-2/h4-10,12H,3,11H2,1-2H3,(H,21,22);1-2H3.
What are the key properties of 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane?
4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane has a molecular weight of 433.42 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[5-(ethoxymethyl)-2-methylphenyl]-1,3-thiazol-2-amine;ethane is sourced from PubChem (CID 145132854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).