2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid

C15H15NO2S — CID 82436091

IUPAC2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H15NO2S/c17-14(18)9-12-15(11-6-7-11)16-13(19-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,18)
InChIKeyMLVFAUJHWGROTN-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid

2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82436091) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
PubChem CID82436091
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(Cc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H15NO2S/c17-14(18)9-12-15(11-6-7-11)16-13(19-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,18)
InChIKeyMLVFAUJHWGROTN-UHFFFAOYSA-N
XLogP3.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
CID 82436126
2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
CID 82436026
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetonitrile
CID 82436090
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)propan-2-amine
CID 82436095
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436119
2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437711
2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82437854
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
N-[[4-cyclopropyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367162
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid (CID 82436091) is 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(Cc2ccccc2)nc1C1CC1.
What is the InChIKey of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is MLVFAUJHWGROTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c17-14(18)9-12-15(11-6-7-11)16-13(19-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,17,18).
What are the key properties of 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid?
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 273.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82436091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).