5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole

C12H12INO2S — CID 67097044

IUPAC5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
SMILESCC(C)Oc1ccc(Oc2ncc(I)s2)cc1
InChIInChI=1S/C12H12INO2S/c1-8(2)15-9-3-5-10(6-4-9)16-12-14-7-11(13)17-12/h3-8H,1-2H3
InChIKeyWXLWOLWFKNXBLS-UHFFFAOYSA-N
MW361.20 g/mol
LogP4.33
Rot. Bonds4

About 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole

5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole (PubChem CID 67097044) has the molecular formula C12H12INO2S and a molecular weight of 361.20 g/mol. Its IUPAC name is 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
PubChem CID67097044
Molecular FormulaC12H12INO2S
Molecular Weight361.20 g/mol
Exact Mass360.96
IUPAC Name5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
SMILESCC(C)Oc1ccc(Oc2ncc(I)s2)cc1
InChIInChI=1S/C12H12INO2S/c1-8(2)15-9-3-5-10(6-4-9)16-12-14-7-11(13)17-12/h3-8H,1-2H3
InChIKeyWXLWOLWFKNXBLS-UHFFFAOYSA-N
XLogP4.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
CID 123414265
5-[(E)-3-azidobut-1-enyl]-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole
CID 86621208
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
2-methyl-N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]propanamide
CID 141350280
2-[(1R)-1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 69435608
N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 23648840
2-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-5-yl]ethyl]isoindole-1,3-dione
CID 69435327
1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol
CID 69434555
N'-hydroxy-2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazole-5-carboximidamide
CID 91514082
1-(difluoromethyl)-4-propan-2-yloxybenzene
CID 130057921
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole?
The IUPAC name of 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole (CID 67097044) is 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole.
What is the SMILES notation for 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole?
The canonical SMILES for 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole is CC(C)Oc1ccc(Oc2ncc(I)s2)cc1.
What is the InChIKey of 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole?
The InChIKey is WXLWOLWFKNXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2S/c1-8(2)15-9-3-5-10(6-4-9)16-12-14-7-11(13)17-12/h3-8H,1-2H3.
What are the key properties of 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole?
5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole has a molecular weight of 361.20 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(4-propan-2-yloxyphenoxy)-1,3-thiazole is sourced from PubChem (CID 67097044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).