1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine

C13H13Br2FN2OS — CID 102839747

IUPAC1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(F)c(NC(CN)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C13H13Br2FN2OS/c1-19-7-2-3-9(16)10(4-7)18-11(6-17)12-5-8(14)13(15)20-12/h2-5,11,18H,6,17H2,1H3
InChIKeyPICOBEROSQVBFF-UHFFFAOYSA-N
MW424.13 g/mol
LogP4.53
Rot. Bonds5

About 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine

1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine (PubChem CID 102839747) has the molecular formula C13H13Br2FN2OS and a molecular weight of 424.13 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
PubChem CID102839747
Molecular FormulaC13H13Br2FN2OS
Molecular Weight424.13 g/mol
Exact Mass421.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(F)c(NC(CN)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C13H13Br2FN2OS/c1-19-7-2-3-9(16)10(4-7)18-11(6-17)12-5-8(14)13(15)20-12/h2-5,11,18H,6,17H2,1H3
InChIKeyPICOBEROSQVBFF-UHFFFAOYSA-N
XLogP4.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.13
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 81146598
1-(3-chloro-2-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 114488001
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
N-[1-(1-benzothiophen-2-yl)ethyl]-2-fluoro-5-methoxyaniline
CID 114909985
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
3-amino-1-(4,5-dibromothiophen-2-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 80538027
2-(3-bromo-4-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 115818809
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
1-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377522
2,3-dibromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 80538746
(2-fluoro-5-methoxyphenyl)hydrazine
CID 34175304

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine (CID 102839747) is 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine is COc1ccc(F)c(NC(CN)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is PICOBEROSQVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2FN2OS/c1-19-7-2-3-9(16)10(4-7)18-11(6-17)12-5-8(14)13(15)20-12/h2-5,11,18H,6,17H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine?
1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 424.13 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 102839747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).