1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine

C12H12ClIN2S — CID 66093344

IUPAC1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1I)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClIN2S/c1-7(11-4-5-12(13)17-11)16-10-3-2-8(15)6-9(10)14/h2-7,16H,15H2,1H3
InChIKeyJWUWCDPEBHXRMZ-UHFFFAOYSA-N
MW378.67 g/mol
LogP4.76
Rot. Bonds3

About 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine

1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine (PubChem CID 66093344) has the molecular formula C12H12ClIN2S and a molecular weight of 378.67 g/mol. Its IUPAC name is 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine
PubChem CID66093344
Molecular FormulaC12H12ClIN2S
Molecular Weight378.67 g/mol
Exact Mass377.95
IUPAC Name1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine
SMILESCC(Nc1ccc(N)cc1I)c1ccc(Cl)s1
InChIInChI=1S/C12H12ClIN2S/c1-7(11-4-5-12(13)17-11)16-10-3-2-8(15)6-9(10)14/h2-7,16H,15H2,1H3
InChIKeyJWUWCDPEBHXRMZ-UHFFFAOYSA-N
XLogP4.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.67
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 103286857
3-amino-4-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 54955056
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylsulfonylbenzene-1,2-diamine
CID 61468882
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
CID 43439176
2-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468919
3-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,3-diamine
CID 104540086
4-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-3,4-diamine
CID 61469011
2-amino-3-[1-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 104716465
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 81264190
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine (CID 66093344) is 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine is CC(Nc1ccc(N)cc1I)c1ccc(Cl)s1.
What is the InChIKey of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine?
The InChIKey is JWUWCDPEBHXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN2S/c1-7(11-4-5-12(13)17-11)16-10-3-2-8(15)6-9(10)14/h2-7,16H,15H2,1H3.
What are the key properties of 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine?
1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine has a molecular weight of 378.67 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66093344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).