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

C14H13NO3S — CID 98019165

IUPAC4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-10-6-4-9(5-7-10)13-15-11(8-2-3-8)12(19-13)14(16)17/h4-8H,2-3H2,1H3,(H,16,17)
InChIKeyNDAHKPNRFULVQW-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.39
Rot. Bonds4

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

4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 98019165) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID98019165
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)cc1
InChIInChI=1S/C14H13NO3S/c1-18-10-6-4-9(5-7-10)13-15-11(8-2-3-8)12(19-13)14(16)17/h4-8H,2-3H2,1H3,(H,16,17)
InChIKeyNDAHKPNRFULVQW-UHFFFAOYSA-N
XLogP3.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
(E)-3-[4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82437303
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
4-cyclopropyl-2-(1,3-thiazol-5-yl)-1,3-thiazole-5-carboxylic acid
CID 114360208
4-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 114360258
4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360827
4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 63917791
4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 63916041
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 98019165) is 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nc(C3CC3)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NDAHKPNRFULVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-10-6-4-9(5-7-10)13-15-11(8-2-3-8)12(19-13)14(16)17/h4-8H,2-3H2,1H3,(H,16,17).
What are the key properties of 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 98019165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).