(2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone

C17H14N2OS — CID 2814150

IUPAC(2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESCc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-12-16(15(20)13-8-4-2-5-9-13)21-17(18-12)19-14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19)
InChIKeyLEEHZZLZIUEJCZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.43
Rot. Bonds4

About (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone

(2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 2814150) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID2814150
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name(2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESCc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-12-16(15(20)13-8-4-2-5-9-13)21-17(18-12)19-14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19)
InChIKeyLEEHZZLZIUEJCZ-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

Analyze (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone 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 (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone (CID 2814150) is (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone is Cc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1.
What is the InChIKey of (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is LEEHZZLZIUEJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-12-16(15(20)13-8-4-2-5-9-13)21-17(18-12)19-14-10-6-3-7-11-14/h2-11H,1H3,(H,18,19).
What are the key properties of (2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone?
(2-anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone 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-4-methyl-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 2814150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).