5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole

C14H16FNOS — CID 163255067

IUPAC5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1COc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C14H16FNOS/c1-9(2)12-6-11(4-5-13(12)15)17-7-14-10(3)16-8-18-14/h4-6,8-9H,7H2,1-3H3
InChIKeyAEFQQSFQXWVSKE-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.29
Rot. Bonds4

About 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole

5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole (PubChem CID 163255067) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole
PubChem CID163255067
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1COc1ccc(F)c(C(C)C)c1
InChIInChI=1S/C14H16FNOS/c1-9(2)12-6-11(4-5-13(12)15)17-7-14-10(3)16-8-18-14/h4-6,8-9H,7H2,1-3H3
InChIKeyAEFQQSFQXWVSKE-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyrimidine
CID 163255187
3-[(4-fluoro-3-propan-2-ylphenoxy)methyl]pyridazine
CID 163255075
5-[(4-fluoro-3-propan-2-ylphenyl)methoxy]-2-methylpyridine
CID 163255135
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
CID 163380158
2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carbaldehyde
CID 170356736
4-ethoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]aniline
CID 79518538
5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82105679
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzothiophene-3-carboxamide
CID 170599637
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380697
5-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-amine
CID 117214491
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480431

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole (CID 163255067) is 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole is Cc1ncsc1COc1ccc(F)c(C(C)C)c1.
What is the InChIKey of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole?
The InChIKey is AEFQQSFQXWVSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9(2)12-6-11(4-5-13(12)15)17-7-14-10(3)16-8-18-14/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole?
5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole has a molecular weight of 265.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoro-3-propan-2-ylphenoxy)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 163255067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).