2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine

C9H15N3S — CID 79583472

IUPAC2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine
SMILESCc1c(C2NC(C)CS2)cnn1C
InChIInChI=1S/C9H15N3S/c1-6-5-13-9(11-6)8-4-10-12(3)7(8)2/h4,6,9,11H,5H2,1-3H3
InChIKeyDCFJIRSDRJBQNF-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.45
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine

2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine (PubChem CID 79583472) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine
PubChem CID79583472
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine
SMILESCc1c(C2NC(C)CS2)cnn1C
InChIInChI=1S/C9H15N3S/c1-6-5-13-9(11-6)8-4-10-12(3)7(8)2/h4,6,9,11H,5H2,1-3H3
InChIKeyDCFJIRSDRJBQNF-UHFFFAOYSA-N
XLogP1.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine (CID 79583472) is 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine is Cc1c(C2NC(C)CS2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine?
The InChIKey is DCFJIRSDRJBQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-5-13-9(11-6)8-4-10-12(3)7(8)2/h4,6,9,11H,5H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine?
2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine has a molecular weight of 197.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazolidine is sourced from PubChem (CID 79583472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).