2-iodo-1-(1,2-thiazolidin-2-yl)ethanone

C5H8INOS — CID 163450539

IUPAC2-iodo-1-(1,2-thiazolidin-2-yl)ethanone
SMILESO=C(CI)N1CCCS1
InChIInChI=1S/C5H8INOS/c6-4-5(8)7-2-1-3-9-7/h1-4H2
InChIKeyBGFHFLUDIWARSV-UHFFFAOYSA-N
MW257.10 g/mol
LogP1.30
Rot. Bonds1

About 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone

2-iodo-1-(1,2-thiazolidin-2-yl)ethanone (PubChem CID 163450539) has the molecular formula C5H8INOS and a molecular weight of 257.10 g/mol. Its IUPAC name is 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-iodo-1-(1,2-thiazolidin-2-yl)ethanone
PubChem CID163450539
Molecular FormulaC5H8INOS
Molecular Weight257.10 g/mol
Exact Mass256.94
IUPAC Name2-iodo-1-(1,2-thiazolidin-2-yl)ethanone
SMILESO=C(CI)N1CCCS1
InChIInChI=1S/C5H8INOS/c6-4-5(8)7-2-1-3-9-7/h1-4H2
InChIKeyBGFHFLUDIWARSV-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 51.30
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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ethyl N'-(thiazinane-2-carbonyl)carbamimidate
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2-(2-iodoethyl)thiazinane
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2-amino-1-(1,4-thiazepan-4-yl)ethanone
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1,2-thiazolidine-2-carbaldehyde
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1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone?
The IUPAC name of 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone (CID 163450539) is 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone.
What is the SMILES notation for 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone?
The canonical SMILES for 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone is O=C(CI)N1CCCS1.
What is the InChIKey of 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone?
The InChIKey is BGFHFLUDIWARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INOS/c6-4-5(8)7-2-1-3-9-7/h1-4H2.
What are the key properties of 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone?
2-iodo-1-(1,2-thiazolidin-2-yl)ethanone has a molecular weight of 257.10 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-(1,2-thiazolidin-2-yl)ethanone is sourced from PubChem (CID 163450539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).