2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione

C12H9ClN2O2S — CID 174265300

IUPAC2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccccc2C1=O.Clc1nccs1
InChIInChI=1S/C9H7NO2.C3H2ClNS/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;4-3-5-1-2-6-3/h2-5H,1H3;1-2H
InChIKeyULKJKCZMBPXARG-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.71
Rot. Bonds

About 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione

2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione (PubChem CID 174265300) has the molecular formula C12H9ClN2O2S and a molecular weight of 280.74 g/mol. Its IUPAC name is 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
PubChem CID174265300
Molecular FormulaC12H9ClN2O2S
Molecular Weight280.74 g/mol
Exact Mass280.01
IUPAC Name2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccccc2C1=O.Clc1nccs1
InChIInChI=1S/C9H7NO2.C3H2ClNS/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;4-3-5-1-2-6-3/h2-5H,1H3;1-2H
InChIKeyULKJKCZMBPXARG-UHFFFAOYSA-N
XLogP2.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione?
The IUPAC name of 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione (CID 174265300) is 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione.
What is the SMILES notation for 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione?
The canonical SMILES for 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione is CN1C(=O)c2ccccc2C1=O.Clc1nccs1.
What is the InChIKey of 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione?
The InChIKey is ULKJKCZMBPXARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C3H2ClNS/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;4-3-5-1-2-6-3/h2-5H,1H3;1-2H.
What are the key properties of 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione?
2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione has a molecular weight of 280.74 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-thiazole;2-methylisoindole-1,3-dione is sourced from PubChem (CID 174265300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).