[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine

C14H17BrN2S — CID 84606543

IUPAC[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cc(C)c(C)c(-c2sc(CN)nc2Br)c1C
InChIInChI=1S/C14H17BrN2S/c1-7-5-8(2)10(4)12(9(7)3)13-14(15)17-11(6-16)18-13/h5H,6,16H2,1-4H3
InChIKeyKPHPFEXYDXIZSB-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.26
Rot. Bonds2

About [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine

[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 84606543) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID84606543
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCc1cc(C)c(C)c(-c2sc(CN)nc2Br)c1C
InChIInChI=1S/C14H17BrN2S/c1-7-5-8(2)10(4)12(9(7)3)13-14(15)17-11(6-16)18-13/h5H,6,16H2,1-4H3
InChIKeyKPHPFEXYDXIZSB-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-bromo-5-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
CID 84606541
(6-bromo-5-methyl-1,3-benzothiazol-2-yl)methanamine
CID 39106445
[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
CID 84610828
(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 83850515
2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 82474151
(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)methanamine
CID 39240932
4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
CID 82091892
[5-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 55248992
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
[4-methyl-5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 165447410
[5-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
CID 55249962

Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine (CID 84606543) is [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine is Cc1cc(C)c(C)c(-c2sc(CN)nc2Br)c1C.
What is the InChIKey of [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is KPHPFEXYDXIZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-7-5-8(2)10(4)12(9(7)3)13-14(15)17-11(6-16)18-13/h5H,6,16H2,1-4H3.
What are the key properties of [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine?
[4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 325.28 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-5-(2,3,5,6-tetramethylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 84606543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).