2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one

C11H11ClN2OS — CID 894949

IUPAC2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one
SMILESCc1ccc(N(C)C2=NC(=O)CS2)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-3-4-8(5-9(7)12)14(2)11-13-10(15)6-16-11/h3-5H,6H2,1-2H3
InChIKeyORQLETZLSXPGHW-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.71
Rot. Bonds1

About 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one

2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one (PubChem CID 894949) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one
PubChem CID894949
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one
SMILESCc1ccc(N(C)C2=NC(=O)CS2)cc1Cl
InChIInChI=1S/C11H11ClN2OS/c1-7-3-4-8(5-9(7)12)14(2)11-13-10(15)6-16-11/h3-5H,6H2,1-2H3
InChIKeyORQLETZLSXPGHW-UHFFFAOYSA-N
XLogP2.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one?
The IUPAC name of 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one (CID 894949) is 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one?
The canonical SMILES for 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one is Cc1ccc(N(C)C2=NC(=O)CS2)cc1Cl.
What is the InChIKey of 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one?
The InChIKey is ORQLETZLSXPGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-3-4-8(5-9(7)12)14(2)11-13-10(15)6-16-11/h3-5H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one?
2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one has a molecular weight of 254.74 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N,4-dimethylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 894949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).