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

C10H9ClN2OS — CID 976222

IUPAC2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)CS1)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c1-13(10-12-9(14)6-15-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyFHOYGNVHKNUJTN-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.41
Rot. Bonds1

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

2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one (PubChem CID 976222) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one
PubChem CID976222
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one
SMILESCN(C1=NC(=O)CS1)c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c1-13(10-12-9(14)6-15-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3
InChIKeyFHOYGNVHKNUJTN-UHFFFAOYSA-N
XLogP2.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one?
The IUPAC name of 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one (CID 976222) is 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one is CN(C1=NC(=O)CS1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one?
The InChIKey is FHOYGNVHKNUJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-13(10-12-9(14)6-15-10)8-4-2-7(11)3-5-8/h2-5H,6H2,1H3.
What are the key properties of 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one?
2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 976222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).