(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C11H11NO2S — CID 25259748

IUPAC(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C2=N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C11H11NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyFLSPAZCOJJZJOB-VIFPVBQESA-N
MW221.28 g/mol
LogP1.94
Rot. Bonds2

About (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 25259748) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID25259748
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(C2=N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C11H11NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9H,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyFLSPAZCOJJZJOB-VIFPVBQESA-N
XLogP1.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 7410566
2-Phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 88327
[(4S,5S)-5-methyl-2-phenyl-4,5-dihydro-1,3-thiazol-4-yl]methanol
CID 145978113
(4S)-2-Phenyl-4,5-dihydro-thiazole-4-carboxylic acid
CID 7410568
S-p-Methylbenzyl-L-cysteine
CID 13994756
2-Phenylmethyl-4,5-dihydrothiazole-4-carboxylic acid
CID 25246418
Methyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 12318800
(4R)-2-(4-bromophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 25257916
(4R)-2-(4-Chlorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 70682721
Ethyl 2-(4-fluorophenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 141260677
S-(4-methylbenzyl)cysteine
CID 3677650
2-[(4-Fluorophenyl)methylideneamino]-3-sulfanylpropanoic acid
CID 90865776

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 25259748) is (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is Cc1ccc(C2=N[C@H](C(=O)O)CS2)cc1.
What is the InChIKey of (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is FLSPAZCOJJZJOB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9H,6H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 25259748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).