(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide

C9H11BrN4OS — CID 135449498

IUPAC(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide
SMILESBr.Cc1cc(C)nc(/N=C2/NC(=O)CS2)n1
InChIInChI=1S/C9H10N4OS.BrH/c1-5-3-6(2)11-8(10-5)13-9-12-7(14)4-15-9;/h3H,4H2,1-2H3,(H,10,11,12,13,14);1H
InChIKeyCYLFMEHUKRKHCH-UHFFFAOYSA-N
MW303.19 g/mol
LogP1.52
Rot. Bonds1

About (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide

(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide (PubChem CID 135449498) has the molecular formula C9H11BrN4OS and a molecular weight of 303.19 g/mol. Its IUPAC name is (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide.

Molecular Properties

Compound Name(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide
PubChem CID135449498
Molecular FormulaC9H11BrN4OS
Molecular Weight303.19 g/mol
Exact Mass301.98
IUPAC Name(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide
SMILESBr.Cc1cc(C)nc(/N=C2/NC(=O)CS2)n1
InChIInChI=1S/C9H10N4OS.BrH/c1-5-3-6(2)11-8(10-5)13-9-12-7(14)4-15-9;/h3H,4H2,1-2H3,(H,10,11,12,13,14);1H
InChIKeyCYLFMEHUKRKHCH-UHFFFAOYSA-N
XLogP1.52
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide?
The IUPAC name of (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide (CID 135449498) is (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide.
What is the SMILES notation for (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide?
The canonical SMILES for (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide is Br.Cc1cc(C)nc(/N=C2/NC(=O)CS2)n1.
What is the InChIKey of (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide?
The InChIKey is CYLFMEHUKRKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS.BrH/c1-5-3-6(2)11-8(10-5)13-9-12-7(14)4-15-9;/h3H,4H2,1-2H3,(H,10,11,12,13,14);1H.
What are the key properties of (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide?
(2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide has a molecular weight of 303.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,6-dimethylpyrimidin-2-yl)imino-1,3-thiazolidin-4-one;hydrobromide is sourced from PubChem (CID 135449498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).