1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C12H14BrClN2S2 — CID 102838401

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H14BrClN2S2/c1-16(6-8-2-3-17-7-8)10(5-15)11-4-9(13)12(14)18-11/h2-4,7,10H,5-6,15H2,1H3
InChIKeyLARMPUGAGAKHME-UHFFFAOYSA-N
MW365.75 g/mol
LogP4.36
Rot. Bonds5

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 102838401) has the molecular formula C12H14BrClN2S2 and a molecular weight of 365.75 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID102838401
Molecular FormulaC12H14BrClN2S2
Molecular Weight365.75 g/mol
Exact Mass363.95
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccsc1)C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H14BrClN2S2/c1-16(6-8-2-3-17-7-8)10(5-15)11-4-9(13)12(14)18-11/h2-4,7,10H,5-6,15H2,1H3
InChIKeyLARMPUGAGAKHME-UHFFFAOYSA-N
XLogP4.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 102838655
N-methyl-1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528085
N-benzyl-1-(4,5-dibromothiophen-2-yl)-N-methylethane-1,2-diamine
CID 102838179
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839001
1-(3,4-dimethylphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43753496
1-(4-bromothiophen-2-yl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413428
1-(4-bromo-5-methylthiophen-2-yl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 102838561
1-(4-bromo-5-methylthiophen-2-yl)-N-[(3-bromophenyl)methyl]-N-methylethane-1,2-diamine
CID 102838606
1-(furan-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 43528156
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 102838978
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 102839687
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 78934602

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 102838401) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CN(Cc1ccsc1)C(CN)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is LARMPUGAGAKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2S2/c1-16(6-8-2-3-17-7-8)10(5-15)11-4-9(13)12(14)18-11/h2-4,7,10H,5-6,15H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 365.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102838401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).