(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine

C9H5Br2Cl2NS2 — CID 80536315

IUPAC(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5Br2Cl2NS2/c10-4-2-5(15-8(4)11)7(14)3-1-6(12)16-9(3)13/h1-2,7H,14H2
InChIKeyATAUSPIWMDNXKP-UHFFFAOYSA-N
MW421.99 g/mol
LogP5.69
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine

(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine (PubChem CID 80536315) has the molecular formula C9H5Br2Cl2NS2 and a molecular weight of 421.99 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
PubChem CID80536315
Molecular FormulaC9H5Br2Cl2NS2
Molecular Weight421.99 g/mol
Exact Mass418.76
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine
SMILESNC(c1cc(Br)c(Br)s1)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H5Br2Cl2NS2/c10-4-2-5(15-8(4)11)7(14)3-1-6(12)16-9(3)13/h1-2,7H,14H2
InChIKeyATAUSPIWMDNXKP-UHFFFAOYSA-N
XLogP5.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.99
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine 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

(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(5-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80533194
(4-chloro-2-methoxyphenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80532989
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
(4,5-dibromothiophen-2-yl)-(2,5-difluorophenyl)methanamine
CID 80536196
(4-bromo-3-chloro-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 114022238
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 80533099
1-(2,5-dichlorothiophen-3-yl)prop-2-yn-1-amine
CID 107968460
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine (CID 80536315) is (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine is NC(c1cc(Br)c(Br)s1)c1cc(Cl)sc1Cl.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is ATAUSPIWMDNXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2Cl2NS2/c10-4-2-5(15-8(4)11)7(14)3-1-6(12)16-9(3)13/h1-2,7H,14H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine?
(4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 421.99 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 80536315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).