N-iodo-2-(1,3-thiazol-2-yl)ethanamine

C5H7IN2S — CID 137452216

IUPACN-iodo-2-(1,3-thiazol-2-yl)ethanamine
SMILESINCCc1nccs1
InChIInChI=1S/C5H7IN2S/c6-8-2-1-5-7-3-4-9-5/h3-4,8H,1-2H2
InChIKeyCIHHKXUTKFOHNM-UHFFFAOYSA-N
MW254.10 g/mol
LogP1.63
Rot. Bonds3

About N-iodo-2-(1,3-thiazol-2-yl)ethanamine

N-iodo-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 137452216) has the molecular formula C5H7IN2S and a molecular weight of 254.10 g/mol. Its IUPAC name is N-iodo-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-iodo-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID137452216
Molecular FormulaC5H7IN2S
Molecular Weight254.10 g/mol
Exact Mass253.94
IUPAC NameN-iodo-2-(1,3-thiazol-2-yl)ethanamine
SMILESINCCc1nccs1
InChIInChI=1S/C5H7IN2S/c6-8-2-1-5-7-3-4-9-5/h3-4,8H,1-2H2
InChIKeyCIHHKXUTKFOHNM-UHFFFAOYSA-N
XLogP1.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 94282162
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 49460028
2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
CID 62407842
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
N-[(4-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62196333
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 127006730

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-iodo-2-(1,3-thiazol-2-yl)ethanamine (CID 137452216) is N-iodo-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-iodo-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-iodo-2-(1,3-thiazol-2-yl)ethanamine is INCCc1nccs1.
What is the InChIKey of N-iodo-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is CIHHKXUTKFOHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2S/c6-8-2-1-5-7-3-4-9-5/h3-4,8H,1-2H2.
What are the key properties of N-iodo-2-(1,3-thiazol-2-yl)ethanamine?
N-iodo-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 254.10 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 137452216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).