[2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone

C12H16INO2S — CID 69243341

IUPAC[2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone
SMILESCC(C)(O)C1CCCC1C(=O)c1ncc(I)s1
InChIInChI=1S/C12H16INO2S/c1-12(2,16)8-5-3-4-7(8)10(15)11-14-6-9(13)17-11/h6-8,16H,3-5H2,1-2H3
InChIKeyBKQGUBHODNLZHL-UHFFFAOYSA-N
MW365.24 g/mol
LogP3.12
Rot. Bonds3

About [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone

[2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone (PubChem CID 69243341) has the molecular formula C12H16INO2S and a molecular weight of 365.24 g/mol. Its IUPAC name is [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone
PubChem CID69243341
Molecular FormulaC12H16INO2S
Molecular Weight365.24 g/mol
Exact Mass364.99
IUPAC Name[2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone
SMILESCC(C)(O)C1CCCC1C(=O)c1ncc(I)s1
InChIInChI=1S/C12H16INO2S/c1-12(2,16)8-5-3-4-7(8)10(15)11-14-6-9(13)17-11/h6-8,16H,3-5H2,1-2H3
InChIKeyBKQGUBHODNLZHL-UHFFFAOYSA-N
XLogP3.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone (CID 69243341) is [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone is CC(C)(O)C1CCCC1C(=O)c1ncc(I)s1.
What is the InChIKey of [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone?
The InChIKey is BKQGUBHODNLZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2S/c1-12(2,16)8-5-3-4-7(8)10(15)11-14-6-9(13)17-11/h6-8,16H,3-5H2,1-2H3.
What are the key properties of [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone?
[2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone has a molecular weight of 365.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxypropan-2-yl)cyclopentyl]-(5-iodo-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 69243341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).