2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

C20H23N3O3S — CID 143828240

About 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide

2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 143828240) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
• PubChem CID: 143828240
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
• SMILES: CC(C)Oc1cc(C(=O)Nc2nccs2)cc(OCCC2=CC=CCC2)n1
• InChI: InChI=1S/C20H23N3O3S/c1-14(2)26-18-13-16(19(24)23-20-21-9-11-27-20)12-17(22-18)25-10-8-15-6-4-3-5-7-15/h3-4,6,9,11-14H,5,7-8,10H2,1-2H3,(H,21,23,24)
• InChIKey: XMAZUKDTSZBVKJ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?

The IUPAC name of 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 143828240) is 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?

The canonical SMILES for 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is CC(C)Oc1cc(C(=O)Nc2nccs2)cc(OCCC2=CC=CCC2)n1.

What is the InChIKey of 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?

The InChIKey is XMAZUKDTSZBVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14(2)26-18-13-16(19(24)23-20-21-9-11-27-20)12-17(22-18)25-10-8-15-6-4-3-5-7-15/h3-4,6,9,11-14H,5,7-8,10H2,1-2H3,(H,21,23,24).

What are the key properties of 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide?

2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclohexa-1,3-dien-1-ylethoxy)-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 143828240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).