1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

C14H15ClN2OS — CID 1485910

IUPAC1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(Nc2ccccc2Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-14(2,3)12(18)11-8-16-13(19-11)17-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H,16,17)
InChIKeyWSHGLWBVGCOIRE-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.77
Rot. Bonds3

About 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one

1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 1485910) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
PubChem CID1485910
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(Nc2ccccc2Cl)s1
InChIInChI=1S/C14H15ClN2OS/c1-14(2,3)12(18)11-8-16-13(19-11)17-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H,16,17)
InChIKeyWSHGLWBVGCOIRE-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one (CID 1485910) is 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc(Nc2ccccc2Cl)s1.
What is the InChIKey of 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WSHGLWBVGCOIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-14(2,3)12(18)11-8-16-13(19-11)17-10-7-5-4-6-9(10)15/h4-8H,1-3H3,(H,16,17).
What are the key properties of 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one?
1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 294.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroanilino)-1,3-thiazol-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 1485910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).