iodoethane;1,3-thiazole

C5H8INS — CID 160661884

IUPACiodoethane;1,3-thiazole
SMILESCCI.c1cscn1
InChIInChI=1S/C3H3NS.C2H5I/c1-2-5-3-4-1;1-2-3/h1-3H;2H2,1H3
InChIKeyRLTWEKMGBLBXKD-UHFFFAOYSA-N
MW241.10 g/mol
LogP2.58
Rot. Bonds

About iodoethane;1,3-thiazole

iodoethane;1,3-thiazole (PubChem CID 160661884) has the molecular formula C5H8INS and a molecular weight of 241.10 g/mol. Its IUPAC name is iodoethane;1,3-thiazole.

Molecular Properties

Compound Nameiodoethane;1,3-thiazole
PubChem CID160661884
Molecular FormulaC5H8INS
Molecular Weight241.10 g/mol
Exact Mass240.94
IUPAC Nameiodoethane;1,3-thiazole
SMILESCCI.c1cscn1
InChIInChI=1S/C3H3NS.C2H5I/c1-2-5-3-4-1;1-2-3/h1-3H;2H2,1H3
InChIKeyRLTWEKMGBLBXKD-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iodoethane;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

platinum(2+);bis(1,3-thiazole)
CID 4318153
sodium;hydride;1,3-thiazole
CID 159645423
CID 174728686
CID 174728686
ethane;2-methylpropane;1,3-thiazole
CID 90889940
methane;2-methylpropane;1,3-thiazole
CID 158903774
azanide;chloroplatinum(1+);1,3-thiazole
CID 50897450
ethyl formate;1,3-thiazole
CID 161371484
1-iodo-4-methylbenzene;1,3-thiazole
CID 174697034
pentan-3-one;1H-pyrrole;1,3-thiazole;hydrofluoride
CID 158175570
benzene;1,3-thiazole;triazine
CID 158133096
5-methyl-1,3-thiazole;1,3-thiazole
CID 161351988
sulfurothioic O-acid;1,3-thiazole
CID 175432688

Frequently Asked Questions

What is the IUPAC name of iodoethane;1,3-thiazole?
The IUPAC name of iodoethane;1,3-thiazole (CID 160661884) is iodoethane;1,3-thiazole.
What is the SMILES notation for iodoethane;1,3-thiazole?
The canonical SMILES for iodoethane;1,3-thiazole is CCI.c1cscn1.
What is the InChIKey of iodoethane;1,3-thiazole?
The InChIKey is RLTWEKMGBLBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS.C2H5I/c1-2-5-3-4-1;1-2-3/h1-3H;2H2,1H3.
What are the key properties of iodoethane;1,3-thiazole?
iodoethane;1,3-thiazole has a molecular weight of 241.10 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodoethane;1,3-thiazole is sourced from PubChem (CID 160661884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).