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

C16H13N3O2S — CID 5121654

IUPAC3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-12-6-4-5-11(9-12)15(20)19-16-18-14(10-22-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20)
InChIKeyZCSYJUOQHJFJBP-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

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

3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 5121654) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID5121654
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-12-6-4-5-11(9-12)15(20)19-16-18-14(10-22-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20)
InChIKeyZCSYJUOQHJFJBP-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 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 5121654) is 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZCSYJUOQHJFJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-12-6-4-5-11(9-12)15(20)19-16-18-14(10-22-16)13-7-2-3-8-17-13/h2-10H,1H3,(H,18,19,20).
What are the key properties of 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-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 3-methoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 5121654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).