(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone

C17H14N2OS — CID 122187242

IUPAC(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)16(20)15-11-18-17(21-15)19-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyZFFONJXVKOIMJJ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.43
Rot. Bonds4

About (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone

(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone (PubChem CID 122187242) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
PubChem CID122187242
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)16(20)15-11-18-17(21-15)19-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19)
InChIKeyZFFONJXVKOIMJJ-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone (CID 122187242) is (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
The InChIKey is ZFFONJXVKOIMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-7-5-6-10-14(12)16(20)15-11-18-17(21-15)19-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,19).
What are the key properties of (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone?
(2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone has a molecular weight of 294.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-5-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 122187242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).