(4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C10H9NO2S — CID 7410568

IUPAC(4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m1/s1
InChIKeyHOZQYTNELGLJMC-MRVPVSSYSA-N
MW207.25 g/mol
LogP1.63
Rot. Bonds2

About (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 7410568) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID7410568
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m1/s1
InChIKeyHOZQYTNELGLJMC-MRVPVSSYSA-N
XLogP1.63
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 7410568) is (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@H]1CSC(c2ccccc2)=N1.
What is the InChIKey of (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is HOZQYTNELGLJMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 7410568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).