2-ethyl-4-(1-iodoethyl)-1,3-thiazole

C7H10INS — CID 137495501

IUPAC2-ethyl-4-(1-iodoethyl)-1,3-thiazole
SMILESCCc1nc(C(C)I)cs1
InChIInChI=1S/C7H10INS/c1-3-7-9-6(4-10-7)5(2)8/h4-5H,3H2,1-2H3
InChIKeyHPZTZTLWWFQOGH-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.20
Rot. Bonds2

About 2-ethyl-4-(1-iodoethyl)-1,3-thiazole

2-ethyl-4-(1-iodoethyl)-1,3-thiazole (PubChem CID 137495501) has the molecular formula C7H10INS and a molecular weight of 267.13 g/mol. Its IUPAC name is 2-ethyl-4-(1-iodoethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-(1-iodoethyl)-1,3-thiazole
PubChem CID137495501
Molecular FormulaC7H10INS
Molecular Weight267.13 g/mol
Exact Mass266.96
IUPAC Name2-ethyl-4-(1-iodoethyl)-1,3-thiazole
SMILESCCc1nc(C(C)I)cs1
InChIInChI=1S/C7H10INS/c1-3-7-9-6(4-10-7)5(2)8/h4-5H,3H2,1-2H3
InChIKeyHPZTZTLWWFQOGH-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-iodoethyl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-(1-iodoethyl)-1,3-thiazole (CID 137495501) is 2-ethyl-4-(1-iodoethyl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-(1-iodoethyl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-(1-iodoethyl)-1,3-thiazole is CCc1nc(C(C)I)cs1.
What is the InChIKey of 2-ethyl-4-(1-iodoethyl)-1,3-thiazole?
The InChIKey is HPZTZTLWWFQOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INS/c1-3-7-9-6(4-10-7)5(2)8/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-(1-iodoethyl)-1,3-thiazole?
2-ethyl-4-(1-iodoethyl)-1,3-thiazole has a molecular weight of 267.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-iodoethyl)-1,3-thiazole is sourced from PubChem (CID 137495501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).