2-ethyl-5-iodo-4-methyl-1,3-thiazole

C6H8INS — CID 142448874

IUPAC2-ethyl-5-iodo-4-methyl-1,3-thiazole
SMILESCCc1nc(C)c(I)s1
InChIInChI=1S/C6H8INS/c1-3-5-8-4(2)6(7)9-5/h3H2,1-2H3
InChIKeyBVSNBFLNYKITIW-UHFFFAOYSA-N
MW253.11 g/mol
LogP2.62
Rot. Bonds1

About 2-ethyl-5-iodo-4-methyl-1,3-thiazole

2-ethyl-5-iodo-4-methyl-1,3-thiazole (PubChem CID 142448874) has the molecular formula C6H8INS and a molecular weight of 253.11 g/mol. Its IUPAC name is 2-ethyl-5-iodo-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-5-iodo-4-methyl-1,3-thiazole
PubChem CID142448874
Molecular FormulaC6H8INS
Molecular Weight253.11 g/mol
Exact Mass252.94
IUPAC Name2-ethyl-5-iodo-4-methyl-1,3-thiazole
SMILESCCc1nc(C)c(I)s1
InChIInChI=1S/C6H8INS/c1-3-5-8-4(2)6(7)9-5/h3H2,1-2H3
InChIKeyBVSNBFLNYKITIW-UHFFFAOYSA-N
XLogP2.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide
CID 59058834
2-ethyl-5-(2-ethylphenyl)-4-methyl-1,3-thiazole
CID 70862263
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
2-amino-2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 116886647
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylbutan-1-amine
CID 116887345
5-[2-(dihydroxyamino)oxyethyl]-2-ethyl-4-methyl-1,3-thiazole
CID 66641574
2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 122174111
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-2-(methylamino)acetic acid
CID 116887386
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylbutan-2-amine
CID 115919198
N-(2-chloro-4-iodophenyl)-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49325357

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-iodo-4-methyl-1,3-thiazole?
The IUPAC name of 2-ethyl-5-iodo-4-methyl-1,3-thiazole (CID 142448874) is 2-ethyl-5-iodo-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-ethyl-5-iodo-4-methyl-1,3-thiazole?
The canonical SMILES for 2-ethyl-5-iodo-4-methyl-1,3-thiazole is CCc1nc(C)c(I)s1.
What is the InChIKey of 2-ethyl-5-iodo-4-methyl-1,3-thiazole?
The InChIKey is BVSNBFLNYKITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INS/c1-3-5-8-4(2)6(7)9-5/h3H2,1-2H3.
What are the key properties of 2-ethyl-5-iodo-4-methyl-1,3-thiazole?
2-ethyl-5-iodo-4-methyl-1,3-thiazole has a molecular weight of 253.11 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iodo-4-methyl-1,3-thiazole is sourced from PubChem (CID 142448874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).