2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid

C14H13NO2S — CID 66867765

IUPAC2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(-c2sc(C3CC3)nc2C(=O)O)c1
InChIInChI=1S/C14H13NO2S/c1-8-3-2-4-10(7-8)12-11(14(16)17)15-13(18-12)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,17)
InChIKeyIKIDLUICQHHWKP-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.69
Rot. Bonds3

About 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid

2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 66867765) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID66867765
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(-c2sc(C3CC3)nc2C(=O)O)c1
InChIInChI=1S/C14H13NO2S/c1-8-3-2-4-10(7-8)12-11(14(16)17)15-13(18-12)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,17)
InChIKeyIKIDLUICQHHWKP-UHFFFAOYSA-N
XLogP3.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid (CID 66867765) is 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid is Cc1cccc(-c2sc(C3CC3)nc2C(=O)O)c1.
What is the InChIKey of 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IKIDLUICQHHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8-3-2-4-10(7-8)12-11(14(16)17)15-13(18-12)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid?
2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66867765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).