N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C15H19BrN2S — CID 107915402

IUPACN-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2ncc(CNC(C)(C)C)s2)c(Br)c1
InChIInChI=1S/C15H19BrN2S/c1-10-5-6-12(13(16)7-10)14-17-8-11(19-14)9-18-15(2,3)4/h5-8,18H,9H2,1-4H3
InChIKeyYKYHJQFQYPKRLT-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.77
Rot. Bonds3

About N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107915402) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID107915402
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(-c2ncc(CNC(C)(C)C)s2)c(Br)c1
InChIInChI=1S/C15H19BrN2S/c1-10-5-6-12(13(16)7-10)14-17-8-11(19-14)9-18-15(2,3)4/h5-8,18H,9H2,1-4H3
InChIKeyYKYHJQFQYPKRLT-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 106793138
2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197994
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
N-[[2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106793139
N-[[2-(2-bromophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 54979700
N-[[2-(2-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114015458
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114078190
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66161660
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66158910
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 107915402) is N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is Cc1ccc(-c2ncc(CNC(C)(C)C)s2)c(Br)c1.
What is the InChIKey of N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YKYHJQFQYPKRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-10-5-6-12(13(16)7-10)14-17-8-11(19-14)9-18-15(2,3)4/h5-8,18H,9H2,1-4H3.
What are the key properties of N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 339.30 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-4-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107915402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).