N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C16H11ClN4O2S3 — CID 38041055

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 38041055) has the molecular formula C16H11ClN4O2S3 and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 38041055
• Molecular Formula: C16H11ClN4O2S3
• Molecular Weight: 422.94 g/mol
• Exact Mass: 421.97
• IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: O=C(CCc1nnc(-c2ccsc2)o1)Nc1nc(-c2ccc(Cl)s2)cs1
• InChI: InChI=1S/C16H11ClN4O2S3/c17-12-2-1-11(26-12)10-8-25-16(18-10)19-13(22)3-4-14-20-21-15(23-14)9-5-6-24-7-9/h1-2,5-8H,3-4H2,(H,18,19,22)
• InChIKey: XLVJRDZLAUPEEO-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.94
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 38041055) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)Nc1nc(-c2ccc(Cl)s2)cs1.

What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is XLVJRDZLAUPEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2S3/c17-12-2-1-11(26-12)10-8-25-16(18-10)19-13(22)3-4-14-20-21-15(23-14)9-5-6-24-7-9/h1-2,5-8H,3-4H2,(H,18,19,22).

What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 422.94 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 38041055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).