1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

C12H13IN2S — CID 105030468

IUPAC1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccc(I)cc1
InChIInChI=1S/C12H13IN2S/c1-14-12(6-11-7-15-8-16-11)9-2-4-10(13)5-3-9/h2-5,7-8,12,14H,6H2,1H3
InChIKeyQLVGAYGQQYWWPB-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 105030468) has the molecular formula C12H13IN2S and a molecular weight of 344.22 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID105030468
Molecular FormulaC12H13IN2S
Molecular Weight344.22 g/mol
Exact Mass343.98
IUPAC Name1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1ccc(I)cc1
InChIInChI=1S/C12H13IN2S/c1-14-12(6-11-7-15-8-16-11)9-2-4-10(13)5-3-9/h2-5,7-8,12,14H,6H2,1H3
InChIKeyQLVGAYGQQYWWPB-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.25
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-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
[1-(4-iodophenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332133
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642771
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
N-methyl-2-(1,3-thiazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030553
N-methyl-1-(4-methylthiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177948

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 105030468) is 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is QLVGAYGQQYWWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2S/c1-14-12(6-11-7-15-8-16-11)9-2-4-10(13)5-3-9/h2-5,7-8,12,14H,6H2,1H3.
What are the key properties of 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 344.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 105030468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).