3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione

C10H11ClN4O2S — CID 82460771

IUPAC3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnc(Cl)nc1NCCN1C(=O)CSC1=O
InChIInChI=1S/C10H11ClN4O2S/c1-6-4-13-9(11)14-8(6)12-2-3-15-7(16)5-18-10(15)17/h4H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyPDRJFTUMKZRQIQ-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.55
Rot. Bonds4

About 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione

3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 82460771) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID82460771
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cnc(Cl)nc1NCCN1C(=O)CSC1=O
InChIInChI=1S/C10H11ClN4O2S/c1-6-4-13-9(11)14-8(6)12-2-3-15-7(16)5-18-10(15)17/h4H,2-3,5H2,1H3,(H,12,13,14)
InChIKeyPDRJFTUMKZRQIQ-UHFFFAOYSA-N
XLogP1.55
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione (CID 82460771) is 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione is Cc1cnc(Cl)nc1NCCN1C(=O)CSC1=O.
What is the InChIKey of 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PDRJFTUMKZRQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-6-4-13-9(11)14-8(6)12-2-3-15-7(16)5-18-10(15)17/h4H,2-3,5H2,1H3,(H,12,13,14).
What are the key properties of 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 286.74 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chloro-5-methylpyrimidin-4-yl)amino]ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 82460771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).