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

C16H13N3O2S — CID 2660433

IUPAC2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H13N3O2S/c1-21-14-8-3-2-6-11(14)15(20)19-16-18-13(10-22-16)12-7-4-5-9-17-12/h2-10H,1H3,(H,18,19,20)
InChIKeyAULRPVBCJJFDPU-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

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

2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2660433) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2660433
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H13N3O2S/c1-21-14-8-3-2-6-11(14)15(20)19-16-18-13(10-22-16)12-7-4-5-9-17-12/h2-10H,1H3,(H,18,19,20)
InChIKeyAULRPVBCJJFDPU-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2660433) is 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1ccccc1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AULRPVBCJJFDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-14-8-3-2-6-11(14)15(20)19-16-18-13(10-22-16)12-7-4-5-9-17-12/h2-10H,1H3,(H,18,19,20).
What are the key properties of 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2660433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).