1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C12H13IN2S — CID 104996961

IUPAC1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2cccc(I)c2)cs1
InChIInChI=1S/C12H13IN2S/c1-8-15-11(7-16-8)6-12(14)9-3-2-4-10(13)5-9/h2-5,7,12H,6,14H2,1H3
InChIKeyHXFNZPMVKGWHLS-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.30
Rot. Bonds3

About 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104996961) has the molecular formula C12H13IN2S and a molecular weight of 344.22 g/mol. Its IUPAC name is 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104996961
Molecular FormulaC12H13IN2S
Molecular Weight344.22 g/mol
Exact Mass343.98
IUPAC Name1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2cccc(I)c2)cs1
InChIInChI=1S/C12H13IN2S/c1-8-15-11(7-16-8)6-12(14)9-3-2-4-10(13)5-9/h2-5,7,12H,6,14H2,1H3
InChIKeyHXFNZPMVKGWHLS-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019204
1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997244
1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036
1-(3-iodophenyl)-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 113397478
[1-(4-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316235
[1-(3-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214571
1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
[1-[3-(2-methylpropyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105214792
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359
4-[3-bromo-2-(3-fluorophenyl)propyl]-2-methyl-1,3-thiazole
CID 79430289

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104996961) is 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CC(N)c2cccc(I)c2)cs1.
What is the InChIKey of 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is HXFNZPMVKGWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2S/c1-8-15-11(7-16-8)6-12(14)9-3-2-4-10(13)5-9/h2-5,7,12H,6,14H2,1H3.
What are the key properties of 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 344.22 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104996961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).