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

C14H18BrClN2S2 — CID 102839687

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H18BrClN2S2/c1-9(6-10-4-3-5-19-10)18(2)12(8-17)13-7-11(15)14(16)20-13/h3-5,7,9,12H,6,8,17H2,1-2H3
InChIKeyHMNYHVUXJXWGCJ-UHFFFAOYSA-N
MW393.80 g/mol
LogP4.79
Rot. Bonds6

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

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (PubChem CID 102839687) has the molecular formula C14H18BrClN2S2 and a molecular weight of 393.80 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
PubChem CID102839687
Molecular FormulaC14H18BrClN2S2
Molecular Weight393.80 g/mol
Exact Mass391.98
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
SMILESCC(Cc1cccs1)N(C)C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H18BrClN2S2/c1-9(6-10-4-3-5-19-10)18(2)12(8-17)13-7-11(15)14(16)20-13/h3-5,7,9,12H,6,8,17H2,1-2H3
InChIKeyHMNYHVUXJXWGCJ-UHFFFAOYSA-N
XLogP4.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472106
1-(2,4-dimethylphenyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79472208
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839001
N-methyl-1-pyridin-2-yl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79475879
2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79476562
3,3,3-trifluoro-2-N-methyl-2-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79475884
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 102838401
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 83230279
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 54983458
1-(2-bromophenyl)-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)propane-1,2-diamine
CID 79471927
2-bromo-1-N-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 79476050
1-(4-bromo-5-chlorothiophen-2-yl)-N-(2,4-dimethylphenyl)-N-methylethane-1,2-diamine
CID 102838978

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine (CID 102839687) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is CC(Cc1cccs1)N(C)C(CN)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
The InChIKey is HMNYHVUXJXWGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2S2/c1-9(6-10-4-3-5-19-10)18(2)12(8-17)13-7-11(15)14(16)20-13/h3-5,7,9,12H,6,8,17H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine has a molecular weight of 393.80 g/mol, XLogP of 4.79, 6 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-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 102839687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).