N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

C15H19BrN2S2 — CID 104841383

IUPACN-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSc2cccc(Br)c2)nc1CC
InChIInChI=1S/C15H19BrN2S2/c1-3-13-14(9-17-4-2)20-15(18-13)10-19-12-7-5-6-11(16)8-12/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyBNARDJXCIAUTGF-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.87
Rot. Bonds7

About N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104841383) has the molecular formula C15H19BrN2S2 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104841383
Molecular FormulaC15H19BrN2S2
Molecular Weight371.37 g/mol
Exact Mass370.02
IUPAC NameN-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSc2cccc(Br)c2)nc1CC
InChIInChI=1S/C15H19BrN2S2/c1-3-13-14(9-17-4-2)20-15(18-13)10-19-12-7-5-6-11(16)8-12/h5-8,17H,3-4,9-10H2,1-2H3
InChIKeyBNARDJXCIAUTGF-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841219
N-[[4-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841445
N-[[4-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841337
1-[4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841198
[2-[(3-bromophenyl)sulfanylmethyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362240
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[2-[(3-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 66073362
[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82429154
1-[2-[(3-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66161603
methyl 2-[(3-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 115327953
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431139
N-[[2-[(2-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841272

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 104841383) is N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CSc2cccc(Br)c2)nc1CC.
What is the InChIKey of N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BNARDJXCIAUTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S2/c1-3-13-14(9-17-4-2)20-15(18-13)10-19-12-7-5-6-11(16)8-12/h5-8,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 371.37 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104841383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).