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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Related Compounds

(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115718767
2-ethyl-4-methyl-1,3-thiazole
CID 27440
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115621932
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
(1S)-N-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylethanamine
CID 97322347

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).