1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine

C13H13BrClNS2 — CID 66143598

IUPAC1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
SMILESNC(CSc1ccc(Cl)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C13H13BrClNS2/c14-13-6-5-12(18-13)7-10(16)8-17-11-3-1-9(15)2-4-11/h1-6,10H,7-8,16H2
InChIKeyPAZVLGXPVUVDJY-UHFFFAOYSA-N
MW362.75 g/mol
LogP4.83
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine

1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine (PubChem CID 66143598) has the molecular formula C13H13BrClNS2 and a molecular weight of 362.75 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
PubChem CID66143598
Molecular FormulaC13H13BrClNS2
Molecular Weight362.75 g/mol
Exact Mass360.94
IUPAC Name1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
SMILESNC(CSc1ccc(Cl)cc1)Cc1ccc(Br)s1
InChIInChI=1S/C13H13BrClNS2/c14-13-6-5-12(18-13)7-10(16)8-17-11-3-1-9(15)2-4-11/h1-6,10H,7-8,16H2
InChIKeyPAZVLGXPVUVDJY-UHFFFAOYSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.75
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66057272
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)propan-2-amine
CID 55095389

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine (CID 66143598) is 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine is NC(CSc1ccc(Cl)cc1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
The InChIKey is PAZVLGXPVUVDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS2/c14-13-6-5-12(18-13)7-10(16)8-17-11-3-1-9(15)2-4-11/h1-6,10H,7-8,16H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine?
1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine has a molecular weight of 362.75 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 66143598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).