N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C13H14Br2N2S — CID 115693156

IUPACN-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2ccc(Br)c(Br)c2)n1
InChIInChI=1S/C13H14Br2N2S/c1-8-7-18-13(17-8)9(2)16-6-10-3-4-11(14)12(15)5-10/h3-5,7,9,16H,6H2,1-2H3
InChIKeyGZBDDIHPAVJRTG-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.83
Rot. Bonds4

About N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115693156) has the molecular formula C13H14Br2N2S and a molecular weight of 390.14 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115693156
Molecular FormulaC13H14Br2N2S
Molecular Weight390.14 g/mol
Exact Mass387.92
IUPAC NameN-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(C(C)NCc2ccc(Br)c(Br)c2)n1
InChIInChI=1S/C13H14Br2N2S/c1-8-7-18-13(17-8)9(2)16-6-10-3-4-11(14)12(15)5-10/h3-5,7,9,16H,6H2,1-2H3
InChIKeyGZBDDIHPAVJRTG-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096277
2-methoxy-5-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63090176
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
2-[4-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenoxy]acetamide
CID 63091960
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]thiophen-3-amine
CID 66386414
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091780

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 115693156) is N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(C(C)NCc2ccc(Br)c(Br)c2)n1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is GZBDDIHPAVJRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2S/c1-8-7-18-13(17-8)9(2)16-6-10-3-4-11(14)12(15)5-10/h3-5,7,9,16H,6H2,1-2H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 390.14 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115693156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).