3-benzamido-N-(1,3-thiazol-2-yl)benzamide

C17H13N3O2S — CID 5007304

IUPAC3-benzamido-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccccc1
InChIInChI=1S/C17H13N3O2S/c21-15(12-5-2-1-3-6-12)19-14-8-4-7-13(11-14)16(22)20-17-18-9-10-23-17/h1-11H,(H,19,21)(H,18,20,22)
InChIKeyYLAIIHGBBKNEMU-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.65
Rot. Bonds4

About 3-benzamido-N-(1,3-thiazol-2-yl)benzamide

3-benzamido-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 5007304) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-benzamido-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(1,3-thiazol-2-yl)benzamide
PubChem CID5007304
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name3-benzamido-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccccc1
InChIInChI=1S/C17H13N3O2S/c21-15(12-5-2-1-3-6-12)19-14-8-4-7-13(11-14)16(22)20-17-18-9-10-23-17/h1-11H,(H,19,21)(H,18,20,22)
InChIKeyYLAIIHGBBKNEMU-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-benzamido-N-(1,3-thiazol-2-yl)benzamide (CID 5007304) is 3-benzamido-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-benzamido-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-benzamido-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1cccc(C(=O)Nc2nccs2)c1)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YLAIIHGBBKNEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-15(12-5-2-1-3-6-12)19-14-8-4-7-13(11-14)16(22)20-17-18-9-10-23-17/h1-11H,(H,19,21)(H,18,20,22).
What are the key properties of 3-benzamido-N-(1,3-thiazol-2-yl)benzamide?
3-benzamido-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 323.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5007304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).