4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid

C14H15NO3S — CID 19965106

IUPAC4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OC(C)C)cc2)sc1C(=O)O
InChIInChI=1S/C14H15NO3S/c1-8(2)18-11-6-4-10(5-7-11)13-15-9(3)12(19-13)14(16)17/h4-8H,1-3H3,(H,16,17)
InChIKeyOKDUWRJGYRNWNH-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.60
Rot. Bonds4

About 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 19965106) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID19965106
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OC(C)C)cc2)sc1C(=O)O
InChIInChI=1S/C14H15NO3S/c1-8(2)18-11-6-4-10(5-7-11)13-15-9(3)12(19-13)14(16)17/h4-8H,1-3H3,(H,16,17)
InChIKeyOKDUWRJGYRNWNH-UHFFFAOYSA-N
XLogP3.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 19965106) is 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(OC(C)C)cc2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OKDUWRJGYRNWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-8(2)18-11-6-4-10(5-7-11)13-15-9(3)12(19-13)14(16)17/h4-8H,1-3H3,(H,16,17).
What are the key properties of 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 19965106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).