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

C18H17N3O2S — CID 2660552

IUPAC4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(2)23-14-8-6-13(7-9-14)17(22)21-18-20-16(11-24-18)15-5-3-4-10-19-15/h3-12H,1-2H3,(H,20,21,22)
InChIKeyBZQYXIGVSOYRQF-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.24
Rot. Bonds5

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

4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2660552) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2660552
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-12(2)23-14-8-6-13(7-9-14)17(22)21-18-20-16(11-24-18)15-5-3-4-10-19-15/h3-12H,1-2H3,(H,20,21,22)
InChIKeyBZQYXIGVSOYRQF-UHFFFAOYSA-N
XLogP4.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 2660552) is 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is BZQYXIGVSOYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(2)23-14-8-6-13(7-9-14)17(22)21-18-20-16(11-24-18)15-5-3-4-10-19-15/h3-12H,1-2H3,(H,20,21,22).
What are the key properties of 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2660552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).