4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C17H14N4O2S — CID 2460890

IUPAC4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C17H14N4O2S/c1-11(22)19-13-7-5-12(6-8-13)16(23)21-17-20-15(10-24-17)14-4-2-3-9-18-14/h2-10H,1H3,(H,19,22)(H,20,21,23)
InChIKeyMYVFIJHTEDZQMG-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.42
Rot. Bonds4

About 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2460890) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2460890
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C17H14N4O2S/c1-11(22)19-13-7-5-12(6-8-13)16(23)21-17-20-15(10-24-17)14-4-2-3-9-18-14/h2-10H,1H3,(H,19,22)(H,20,21,23)
InChIKeyMYVFIJHTEDZQMG-UHFFFAOYSA-N
XLogP3.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2460890) is 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MYVFIJHTEDZQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11(22)19-13-7-5-12(6-8-13)16(23)21-17-20-15(10-24-17)14-4-2-3-9-18-14/h2-10H,1H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2460890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).