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

C22H16N2OS — CID 1241166

IUPAC(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)
InChIKeyLQFHHNJNCSFAOJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.78
Rot. Bonds5

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

(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone (PubChem CID 1241166) has the molecular formula C22H16N2OS and a molecular weight of 356.45 g/mol. Its IUPAC name is (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
PubChem CID1241166
Molecular FormulaC22H16N2OS
Molecular Weight356.45 g/mol
Exact Mass356.10
IUPAC Name(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24)
InChIKeyLQFHHNJNCSFAOJ-UHFFFAOYSA-N
XLogP5.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The IUPAC name of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone (CID 1241166) is (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone is O=C(c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
The InChIKey is LQFHHNJNCSFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS/c25-20(17-12-6-2-7-13-17)21-19(16-10-4-1-5-11-16)24-22(26-21)23-18-14-8-3-9-15-18/h1-15H,(H,23,24).
What are the key properties of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone?
(2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone has a molecular weight of 356.45 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-4-phenyl-1,3-thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 1241166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).