2-chloro-N,5-diiodo-N-methylthiophen-3-amine

C5H4ClI2NS — CID 163526259

IUPAC2-chloro-N,5-diiodo-N-methylthiophen-3-amine
SMILESCN(I)c1cc(I)sc1Cl
InChIInChI=1S/C5H4ClI2NS/c1-9(8)3-2-4(7)10-5(3)6/h2H,1H3
InChIKeyDPAGYXPSFXMVNO-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.79
Rot. Bonds1

About 2-chloro-N,5-diiodo-N-methylthiophen-3-amine

2-chloro-N,5-diiodo-N-methylthiophen-3-amine (PubChem CID 163526259) has the molecular formula C5H4ClI2NS and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-chloro-N,5-diiodo-N-methylthiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N,5-diiodo-N-methylthiophen-3-amine
PubChem CID163526259
Molecular FormulaC5H4ClI2NS
Molecular Weight399.42 g/mol
Exact Mass398.78
IUPAC Name2-chloro-N,5-diiodo-N-methylthiophen-3-amine
SMILESCN(I)c1cc(I)sc1Cl
InChIInChI=1S/C5H4ClI2NS/c1-9(8)3-2-4(7)10-5(3)6/h2H,1H3
InChIKeyDPAGYXPSFXMVNO-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5-diiodo-N-methylthiophen-3-amine?
The IUPAC name of 2-chloro-N,5-diiodo-N-methylthiophen-3-amine (CID 163526259) is 2-chloro-N,5-diiodo-N-methylthiophen-3-amine.
What is the SMILES notation for 2-chloro-N,5-diiodo-N-methylthiophen-3-amine?
The canonical SMILES for 2-chloro-N,5-diiodo-N-methylthiophen-3-amine is CN(I)c1cc(I)sc1Cl.
What is the InChIKey of 2-chloro-N,5-diiodo-N-methylthiophen-3-amine?
The InChIKey is DPAGYXPSFXMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClI2NS/c1-9(8)3-2-4(7)10-5(3)6/h2H,1H3.
What are the key properties of 2-chloro-N,5-diiodo-N-methylthiophen-3-amine?
2-chloro-N,5-diiodo-N-methylthiophen-3-amine has a molecular weight of 399.42 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5-diiodo-N-methylthiophen-3-amine is sourced from PubChem (CID 163526259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).