ethane;2-ethyl-1,3-thiazole;iodomethane

C8H16INS — CID 168945349

IUPACethane;2-ethyl-1,3-thiazole;iodomethane
SMILESCC.CCc1nccs1.CI
InChIInChI=1S/C5H7NS.C2H6.CH3I/c1-2-5-6-3-4-7-5;2*1-2/h3-4H,2H2,1H3;1-2H3;1H3
InChIKeyHBSRPVDIOYQYER-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.78
Rot. Bonds1

About ethane;2-ethyl-1,3-thiazole;iodomethane

ethane;2-ethyl-1,3-thiazole;iodomethane (PubChem CID 168945349) has the molecular formula C8H16INS and a molecular weight of 285.19 g/mol. Its IUPAC name is ethane;2-ethyl-1,3-thiazole;iodomethane.

Molecular Properties

Compound Nameethane;2-ethyl-1,3-thiazole;iodomethane
PubChem CID168945349
Molecular FormulaC8H16INS
Molecular Weight285.19 g/mol
Exact Mass285.00
IUPAC Nameethane;2-ethyl-1,3-thiazole;iodomethane
SMILESCC.CCc1nccs1.CI
InChIInChI=1S/C5H7NS.C2H6.CH3I/c1-2-5-6-3-4-7-5;2*1-2/h3-4H,2H2,1H3;1-2H3;1H3
InChIKeyHBSRPVDIOYQYER-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.78
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'}

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Related Compounds

N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
5-ethyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 103933936
ethane;2-methyl-1,3-thiazole;propane
CID 143558084
2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82699096
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045
2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
2-but-3-ynyl-1,3-thiazole
CID 87801574
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1,3-thiazole;iodomethane?
The IUPAC name of ethane;2-ethyl-1,3-thiazole;iodomethane (CID 168945349) is ethane;2-ethyl-1,3-thiazole;iodomethane.
What is the SMILES notation for ethane;2-ethyl-1,3-thiazole;iodomethane?
The canonical SMILES for ethane;2-ethyl-1,3-thiazole;iodomethane is CC.CCc1nccs1.CI.
What is the InChIKey of ethane;2-ethyl-1,3-thiazole;iodomethane?
The InChIKey is HBSRPVDIOYQYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C2H6.CH3I/c1-2-5-6-3-4-7-5;2*1-2/h3-4H,2H2,1H3;1-2H3;1H3.
What are the key properties of ethane;2-ethyl-1,3-thiazole;iodomethane?
ethane;2-ethyl-1,3-thiazole;iodomethane has a molecular weight of 285.19 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1,3-thiazole;iodomethane is sourced from PubChem (CID 168945349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).