N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H19BrN2S — CID 105030516

IUPACN-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H19BrN2S/c1-3-4-18-15(8-14-9-17-10-19-14)12-5-11(2)6-13(16)7-12/h5-7,9-10,15,18H,3-4,8H2,1-2H3
InChIKeyMGBGDHKLKFZHNI-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.50
Rot. Bonds6

About N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105030516) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105030516
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H19BrN2S/c1-3-4-18-15(8-14-9-17-10-19-14)12-5-11(2)6-13(16)7-12/h5-7,9-10,15,18H,3-4,8H2,1-2H3
InChIKeyMGBGDHKLKFZHNI-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
N-[1-(3-bromo-5-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643264
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385
N-[1-(3-bromo-5-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 104997069
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030306
1-(3-bromo-5-methylphenyl)-N-propylpropan-1-amine
CID 114979558
N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030364
N-[1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030701
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
N-[1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107985343
N-[1-(2-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030418
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105030516) is N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncs1)c1cc(C)cc(Br)c1.
What is the InChIKey of N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is MGBGDHKLKFZHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-3-4-18-15(8-14-9-17-10-19-14)12-5-11(2)6-13(16)7-12/h5-7,9-10,15,18H,3-4,8H2,1-2H3.
What are the key properties of N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105030516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).