2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone

C9H8INOS3 — CID 71110762

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone
SMILESO=C(CSC1=NCCS1)c1ccc(I)s1
InChIInChI=1S/C9H8INOS3/c10-8-2-1-7(15-8)6(12)5-14-9-11-3-4-13-9/h1-2H,3-5H2
InChIKeyMYUAKHBEPSKFEO-UHFFFAOYSA-N
MW369.27 g/mol
LogP3.37
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone (PubChem CID 71110762) has the molecular formula C9H8INOS3 and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone
PubChem CID71110762
Molecular FormulaC9H8INOS3
Molecular Weight369.27 g/mol
Exact Mass368.88
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone
SMILESO=C(CSC1=NCCS1)c1ccc(I)s1
InChIInChI=1S/C9H8INOS3/c10-8-2-1-7(15-8)6(12)5-14-9-11-3-4-13-9/h1-2H,3-5H2
InChIKeyMYUAKHBEPSKFEO-UHFFFAOYSA-N
XLogP3.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone (CID 71110762) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone is O=C(CSC1=NCCS1)c1ccc(I)s1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone?
The InChIKey is MYUAKHBEPSKFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INOS3/c10-8-2-1-7(15-8)6(12)5-14-9-11-3-4-13-9/h1-2H,3-5H2.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone has a molecular weight of 369.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(5-iodothiophen-2-yl)ethanone is sourced from PubChem (CID 71110762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).