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

C13H14BrClN2S — CID 66158910

IUPACN-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C13H14BrClN2S/c1-8(2)16-6-10-7-17-13(18-10)11-5-9(15)3-4-12(11)14/h3-5,7-8,16H,6H2,1-2H3
InChIKeyUUAYMNJDDWHSQO-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.72
Rot. Bonds4

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

N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 66158910) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID66158910
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC NameN-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C13H14BrClN2S/c1-8(2)16-6-10-7-17-13(18-10)11-5-9(15)3-4-12(11)14/h3-5,7-8,16H,6H2,1-2H3
InChIKeyUUAYMNJDDWHSQO-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66161660
N-[[2-(2,5-difluorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63674986
N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66161070
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114078190
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107504208
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
(2R)-2-[[2-(3-chlorophenyl)-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 166242585
N-[[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422506
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 66158910) is N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2cc(Cl)ccc2Br)s1.
What is the InChIKey of N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is UUAYMNJDDWHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-8(2)16-6-10-7-17-13(18-10)11-5-9(15)3-4-12(11)14/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 345.69 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 66158910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).