1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C13H17BrN2S2 — CID 54983458

IUPAC1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)C(CN)c1ccc(Br)s1
InChIInChI=1S/C13H17BrN2S2/c1-9(11-4-3-7-17-11)16(2)10(8-15)12-5-6-13(14)18-12/h3-7,9-10H,8,15H2,1-2H3
InChIKeyXRAQZZMJHZGSRP-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 54983458) has the molecular formula C13H17BrN2S2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID54983458
Molecular FormulaC13H17BrN2S2
Molecular Weight345.33 g/mol
Exact Mass344.00
IUPAC Name1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC(c1cccs1)N(C)C(CN)c1ccc(Br)s1
InChIInChI=1S/C13H17BrN2S2/c1-9(11-4-3-7-17-11)16(2)10(8-15)12-5-6-13(14)18-12/h3-7,9-10H,8,15H2,1-2H3
InChIKeyXRAQZZMJHZGSRP-UHFFFAOYSA-N
XLogP4.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980007
1-(5-bromothiophen-2-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571920
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112657747
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 83230279
N-methyl-N-(3-methylbutan-2-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 43569817
1-(2-cyclopropylphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79972660
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 66130407
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 102839687
1-(5-bromothiophen-2-yl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913500
N-methyl-1-phenyl-N'-propyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62430658
1-(4-bromo-5-methylthiophen-2-yl)-N-[1-(3-chlorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 102839141

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 54983458) is 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CC(c1cccs1)N(C)C(CN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is XRAQZZMJHZGSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2S2/c1-9(11-4-3-7-17-11)16(2)10(8-15)12-5-6-13(14)18-12/h3-7,9-10H,8,15H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 345.33 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 54983458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).