(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C10H10F3NO2S — CID 165405168

IUPAC(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1cncs1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9(1-2-9)6(3-8(15)16)7-4-14-5-17-7/h4-6H,1-3H2,(H,15,16)/t6-/m1/s1
InChIKeyRYTYSADCDFODAI-ZCFIWIBFSA-N
MW265.26 g/mol
LogP3.04
Rot. Bonds4

About (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 165405168) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID165405168
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1cncs1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9(1-2-9)6(3-8(15)16)7-4-14-5-17-7/h4-6H,1-3H2,(H,15,16)/t6-/m1/s1
InChIKeyRYTYSADCDFODAI-ZCFIWIBFSA-N
XLogP3.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 165405168) is (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@H](c1cncs1)C1(C(F)(F)F)CC1.
What is the InChIKey of (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is RYTYSADCDFODAI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)9(1-2-9)6(3-8(15)16)7-4-14-5-17-7/h4-6H,1-3H2,(H,15,16)/t6-/m1/s1.
What are the key properties of (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 165405168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).