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

C14H13NO2S — CID 82436026

IUPAC2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C14H13NO2S/c16-12(17)8-11-13(9-6-7-9)15-14(18-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17)
InChIKeyOGPNUMAQYXWXOE-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.31
Rot. Bonds4

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

2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82436026) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
PubChem CID82436026
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sc(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C14H13NO2S/c16-12(17)8-11-13(9-6-7-9)15-14(18-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17)
InChIKeyOGPNUMAQYXWXOE-UHFFFAOYSA-N
XLogP3.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
CID 82436091
3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82437399
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
CID 82436126
2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
CID 19800550
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid (CID 82436026) is 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1sc(-c2ccccc2)nc1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is OGPNUMAQYXWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-12(17)8-11-13(9-6-7-9)15-14(18-11)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17).
What are the key properties of 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid?
2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 259.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82436026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).