1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

C9H9IN2S2 — CID 105030806

IUPAC1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1csc(I)c1
InChIInChI=1S/C9H9IN2S2/c10-9-1-6(4-13-9)8(11)2-7-3-12-5-14-7/h1,3-5,8H,2,11H2
InChIKeyJLMFYQFGWBERCX-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.05
Rot. Bonds3

About 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030806) has the molecular formula C9H9IN2S2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030806
Molecular FormulaC9H9IN2S2
Molecular Weight336.22 g/mol
Exact Mass335.93
IUPAC Name1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNC(Cc1cncs1)c1csc(I)c1
InChIInChI=1S/C9H9IN2S2/c10-9-1-6(4-13-9)8(11)2-7-3-12-5-14-7/h1,3-5,8H,2,11H2
InChIKeyJLMFYQFGWBERCX-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131042710
1-(5-iodothiophen-3-yl)propan-1-amine
CID 114980142
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643573
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(5-iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064211
2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105030569
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 112643460

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 105030806) is 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is NC(Cc1cncs1)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is JLMFYQFGWBERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2S2/c10-9-1-6(4-13-9)8(11)2-7-3-12-5-14-7/h1,3-5,8H,2,11H2.
What are the key properties of 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 336.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).