3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide

C19H15N5O4S3 — CID 50877131

About 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide

3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide (PubChem CID 50877131) has the molecular formula C19H15N5O4S3 and a molecular weight of 473.56 g/mol. Its IUPAC name is 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
• PubChem CID: 50877131
• Molecular Formula: C19H15N5O4S3
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.03
• IUPAC Name: 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide
• SMILES: O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(S(=O)(=O)c2nccs2)cc1
• InChI: InChI=1S/C19H15N5O4S3/c25-16(7-11-29-18-24-23-17(28-18)13-5-8-20-9-6-13)22-14-1-3-15(4-2-14)31(26,27)19-21-10-12-30-19/h1-6,8-10,12H,7,11H2,(H,22,25)
• InChIKey: CRQXYXPKLZRVNF-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 127.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?

The IUPAC name of 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide (CID 50877131) is 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide.

What is the SMILES notation for 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?

The canonical SMILES for 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide is O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(S(=O)(=O)c2nccs2)cc1.

What is the InChIKey of 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?

The InChIKey is CRQXYXPKLZRVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S3/c25-16(7-11-29-18-24-23-17(28-18)13-5-8-20-9-6-13)22-14-1-3-15(4-2-14)31(26,27)19-21-10-12-30-19/h1-6,8-10,12H,7,11H2,(H,22,25).

What are the key properties of 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide?

3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide has a molecular weight of 473.56 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfonyl)phenyl]propanamide is sourced from PubChem (CID 50877131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).