3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide

C18H17N3O3S2 — CID 10362780

About 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide

3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 10362780) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
• PubChem CID: 10362780
• Molecular Formula: C18H17N3O3S2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.07
• IUPAC Name: 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide
• SMILES: CC(CO)Oc1cc(Sc2ccncc2)cc(C(=O)Nc2nccs2)c1
• InChI: InChI=1S/C18H17N3O3S2/c1-12(11-22)24-14-8-13(17(23)21-18-20-6-7-25-18)9-16(10-14)26-15-2-4-19-5-3-15/h2-10,12,22H,11H2,1H3,(H,20,21,23)
• InChIKey: SRNXPPWZSQRGDP-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 84.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?

The IUPAC name of 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide (CID 10362780) is 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is CC(CO)Oc1cc(Sc2ccncc2)cc(C(=O)Nc2nccs2)c1.

What is the InChIKey of 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?

The InChIKey is SRNXPPWZSQRGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-12(11-22)24-14-8-13(17(23)21-18-20-6-7-25-18)9-16(10-14)26-15-2-4-19-5-3-15/h2-10,12,22H,11H2,1H3,(H,20,21,23).

What are the key properties of 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide?

3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 387.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-hydroxypropan-2-yloxy)-5-pyridin-4-ylsulfanyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 10362780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).