2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C14H14FNO3S — CID 98032866

IUPAC2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C(C)C)c(C(=O)O)s2)cc1F
InChIInChI=1S/C14H14FNO3S/c1-7(2)11-12(14(17)18)20-13(16-11)8-4-5-10(19-3)9(15)6-8/h4-7H,1-3H3,(H,17,18)
InChIKeyOTYKLOMOFCYMAN-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.78
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 98032866) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID98032866
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C(C)C)c(C(=O)O)s2)cc1F
InChIInChI=1S/C14H14FNO3S/c1-7(2)11-12(14(17)18)20-13(16-11)8-4-5-10(19-3)9(15)6-8/h4-7H,1-3H3,(H,17,18)
InChIKeyOTYKLOMOFCYMAN-UHFFFAOYSA-N
XLogP3.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359800
2-[4-(difluoromethoxy)phenyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360741
4-(difluoromethyl)-2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198823
2-(2-fluoro-6-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359820
3-[5-(3-fluoro-4-methoxyphenyl)thiophen-2-yl]butanoic acid
CID 82543076
2-(7-bromo-1,3-benzodioxol-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360710
N-[5-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 73254179
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
CID 11514632
2-[3-carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46849410
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 98032866) is 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nc(C(C)C)c(C(=O)O)s2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OTYKLOMOFCYMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-7(2)11-12(14(17)18)20-13(16-11)8-4-5-10(19-3)9(15)6-8/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 295.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 98032866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).