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

C13H13NO3S — CID 60916803

IUPAC2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ncc(C(=O)O)s2)cc1
InChIInChI=1S/C13H13NO3S/c1-8(2)17-10-5-3-9(4-6-10)12-14-7-11(18-12)13(15)16/h3-8H,1-2H3,(H,15,16)
InChIKeyLRRCVAPJEKDNCU-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.30
Rot. Bonds4

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

2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 60916803) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID60916803
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ncc(C(=O)O)s2)cc1
InChIInChI=1S/C13H13NO3S/c1-8(2)17-10-5-3-9(4-6-10)12-14-7-11(18-12)13(15)16/h3-8H,1-2H3,(H,15,16)
InChIKeyLRRCVAPJEKDNCU-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61282527
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581
N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653566
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
3-(4-propan-2-yloxyphenyl)pyrazine-2-carboxylic acid
CID 82483342
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 60916803) is 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid is CC(C)Oc1ccc(-c2ncc(C(=O)O)s2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LRRCVAPJEKDNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8(2)17-10-5-3-9(4-6-10)12-14-7-11(18-12)13(15)16/h3-8H,1-2H3,(H,15,16).
What are the key properties of 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 60916803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).