(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C9H13N3O2S — CID 107774027

IUPAC(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C9H13N3O2S/c1-4-7(5(2)12-11-4)8-10-6(3-15-8)9(13)14/h6,8,10H,3H2,1-2H3,(H,11,12)(H,13,14)/t6-,8?/m1/s1
InChIKeyYWZFIVHSRVOLOH-XPJFZRNWSA-N
MW227.29 g/mol
LogP0.81
Rot. Bonds2

About (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107774027) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107774027
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1n[nH]c(C)c1C1N[C@@H](C(=O)O)CS1
InChIInChI=1S/C9H13N3O2S/c1-4-7(5(2)12-11-4)8-10-6(3-15-8)9(13)14/h6,8,10H,3H2,1-2H3,(H,11,12)(H,13,14)/t6-,8?/m1/s1
InChIKeyYWZFIVHSRVOLOH-XPJFZRNWSA-N
XLogP0.81
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 130592481
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(2R,4S)-2-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 51673907
(4S)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107773729
(4R)-2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 79583895
(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid
CID 107773774
(4R)-2-(3-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 66118285
(2S,4S)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40574393

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 107774027) is (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is Cc1n[nH]c(C)c1C1N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YWZFIVHSRVOLOH-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-4-7(5(2)12-11-4)8-10-6(3-15-8)9(13)14/h6,8,10H,3H2,1-2H3,(H,11,12)(H,13,14)/t6-,8?/m1/s1.
What are the key properties of (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107774027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).