1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one

C14H16N2OS — CID 1482542

IUPAC1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C14H16N2OS/c1-14(2,3)12(17)11-9-15-13(18-11)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)
InChIKeyMMWLSLOVMJAJPD-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.12
Rot. Bonds3

About 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one

1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 1482542) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
PubChem CID1482542
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C14H16N2OS/c1-14(2,3)12(17)11-9-15-13(18-11)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16)
InChIKeyMMWLSLOVMJAJPD-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one (CID 1482542) is 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is MMWLSLOVMJAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,3)12(17)11-9-15-13(18-11)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16).
What are the key properties of 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one?
1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 260.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-1,3-thiazol-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 1482542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).