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

C13H15IN2S — CID 105151834

IUPAC2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(I)cc1)c1csc(C)n1
InChIInChI=1S/C13H15IN2S/c1-9-16-13(8-17-9)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,8,12,15H,7H2,1-2H3
InChIKeyITCQHFVLKKGEHD-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.56
Rot. Bonds4

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

2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 105151834) has the molecular formula C13H15IN2S and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID105151834
Molecular FormulaC13H15IN2S
Molecular Weight358.25 g/mol
Exact Mass358.00
IUPAC Name2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCNC(Cc1ccc(I)cc1)c1csc(C)n1
InChIInChI=1S/C13H15IN2S/c1-9-16-13(8-17-9)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,8,12,15H,7H2,1-2H3
InChIKeyITCQHFVLKKGEHD-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.56
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

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-2-phenylethanamine
CID 105084395
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107891595
2-(4-iodophenyl)-N-methyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 65478941
N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
2-(4-iodophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105151861
2-(2-chloro-4-methylphenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106867910
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103043281
1-(4-iodophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 65479206
N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 114984071
2-(3-chlorophenyl)-N-ethyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105085899

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 105151834) is 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is CNC(Cc1ccc(I)cc1)c1csc(C)n1.
What is the InChIKey of 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is ITCQHFVLKKGEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2S/c1-9-16-13(8-17-9)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,8,12,15H,7H2,1-2H3.
What are the key properties of 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine?
2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 358.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 105151834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).