N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide

C22H17N3OS — CID 3610835

IUPACN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21(17-7-3-1-4-8-17)23-19-13-11-16(12-14-19)20-15-27-22(25-20)24-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)
InChIKeyGFVBPDVQAUJJNQ-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.81
Rot. Bonds5

About N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 3610835) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID3610835
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1ccccc1
InChIInChI=1S/C22H17N3OS/c26-21(17-7-3-1-4-8-17)23-19-13-11-16(12-14-19)20-15-27-22(25-20)24-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25)
InChIKeyGFVBPDVQAUJJNQ-UHFFFAOYSA-N
XLogP5.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide (CID 3610835) is N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-c2csc(Nc3ccccc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is GFVBPDVQAUJJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(17-7-3-1-4-8-17)23-19-13-11-16(12-14-19)20-15-27-22(25-20)24-18-9-5-2-6-10-18/h1-15H,(H,23,26)(H,24,25).
What are the key properties of N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide?
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 371.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 3610835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).