2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine

C8H11N3S — CID 115528337

IUPAC2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine
SMILESCc1nccc(C2NCCS2)n1
InChIInChI=1S/C8H11N3S/c1-6-9-3-2-7(11-6)8-10-4-5-12-8/h2-3,8,10H,4-5H2,1H3
InChIKeyFIKSERPEZRPFFV-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.12
Rot. Bonds1

About 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine

2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine (PubChem CID 115528337) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine
PubChem CID115528337
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine
SMILESCc1nccc(C2NCCS2)n1
InChIInChI=1S/C8H11N3S/c1-6-9-3-2-7(11-6)8-10-4-5-12-8/h2-3,8,10H,4-5H2,1H3
InChIKeyFIKSERPEZRPFFV-UHFFFAOYSA-N
XLogP1.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine (CID 115528337) is 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine is Cc1nccc(C2NCCS2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine?
The InChIKey is FIKSERPEZRPFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-6-9-3-2-7(11-6)8-10-4-5-12-8/h2-3,8,10H,4-5H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine?
2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine has a molecular weight of 181.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-1,3-thiazolidine is sourced from PubChem (CID 115528337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).