5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole

C10H10IN3OS — CID 116649153

IUPAC5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1ncc(I)cn1
InChIInChI=1S/C10H10IN3OS/c1-7-9(16-6-14-7)2-3-15-10-12-4-8(11)5-13-10/h4-6H,2-3H2,1H3
InChIKeyVZDKYFXEIFYQNI-UHFFFAOYSA-N
MW347.18 g/mol
LogP2.47
Rot. Bonds4

About 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole

5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole (PubChem CID 116649153) has the molecular formula C10H10IN3OS and a molecular weight of 347.18 g/mol. Its IUPAC name is 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole
PubChem CID116649153
Molecular FormulaC10H10IN3OS
Molecular Weight347.18 g/mol
Exact Mass346.96
IUPAC Name5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1ncc(I)cn1
InChIInChI=1S/C10H10IN3OS/c1-7-9(16-6-14-7)2-3-15-10-12-4-8(11)5-13-10/h4-6H,2-3H2,1H3
InChIKeyVZDKYFXEIFYQNI-UHFFFAOYSA-N
XLogP2.47
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methanol
CID 107373137
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyridazin-6-one
CID 103240603
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole (CID 116649153) is 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOc1ncc(I)cn1.
What is the InChIKey of 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole?
The InChIKey is VZDKYFXEIFYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3OS/c1-7-9(16-6-14-7)2-3-15-10-12-4-8(11)5-13-10/h4-6H,2-3H2,1H3.
What are the key properties of 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole?
5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole has a molecular weight of 347.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-iodopyrimidin-2-yl)oxyethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 116649153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).