3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H12N4O2S — CID 11045566

IUPAC3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C16H12N4O2S/c21-14(11-5-2-1-3-6-11)19-12-7-4-8-17-13(12)15(22)20-16-18-9-10-23-16/h1-10H,(H,19,21)(H,18,20,22)
InChIKeyBOMLSFCDGFXWEI-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.04
Rot. Bonds4

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

3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 11045566) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID11045566
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C16H12N4O2S/c21-14(11-5-2-1-3-6-11)19-12-7-4-8-17-13(12)15(22)20-16-18-9-10-23-16/h1-10H,(H,19,21)(H,18,20,22)
InChIKeyBOMLSFCDGFXWEI-UHFFFAOYSA-N
XLogP3.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 11045566) is 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1cccnc1C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is BOMLSFCDGFXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c21-14(11-5-2-1-3-6-11)19-12-7-4-8-17-13(12)15(22)20-16-18-9-10-23-16/h1-10H,(H,19,21)(H,18,20,22).
What are the key properties of 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11045566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).