5-(2-iodoethyl)-4-methyl-1,3-thiazole

C6H8INS — CID 3031968

IUPAC5-(2-iodoethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCI
InChIInChI=1S/C6H8INS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKeyZJCSGEQOLLMNAK-UHFFFAOYSA-N
MW253.11 g/mol
LogP2.43
Rot. Bonds2

About 5-(2-iodoethyl)-4-methyl-1,3-thiazole

5-(2-iodoethyl)-4-methyl-1,3-thiazole (PubChem CID 3031968) has the molecular formula C6H8INS and a molecular weight of 253.11 g/mol. Its IUPAC name is 5-(2-iodoethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-iodoethyl)-4-methyl-1,3-thiazole
PubChem CID3031968
Molecular FormulaC6H8INS
Molecular Weight253.11 g/mol
Exact Mass252.94
IUPAC Name5-(2-iodoethyl)-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCI
InChIInChI=1S/C6H8INS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3
InChIKeyZJCSGEQOLLMNAK-UHFFFAOYSA-N
XLogP2.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 52.43
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

2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
CID 66818170
CID 66818170
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-(2-azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole
CID 116649153

Frequently Asked Questions

What is the IUPAC name of 5-(2-iodoethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-iodoethyl)-4-methyl-1,3-thiazole (CID 3031968) is 5-(2-iodoethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-iodoethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-iodoethyl)-4-methyl-1,3-thiazole is Cc1ncsc1CCI.
What is the InChIKey of 5-(2-iodoethyl)-4-methyl-1,3-thiazole?
The InChIKey is ZJCSGEQOLLMNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3.
What are the key properties of 5-(2-iodoethyl)-4-methyl-1,3-thiazole?
5-(2-iodoethyl)-4-methyl-1,3-thiazole has a molecular weight of 253.11 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodoethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 3031968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).