3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide

C19H17Cl2N3O3S2 — CID 134012182

About 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide

3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 134012182) has the molecular formula C19H17Cl2N3O3S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 134012182
• Molecular Formula: C19H17Cl2N3O3S2
• Molecular Weight: 470.40 g/mol
• Exact Mass: 469.01
• IUPAC Name: 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
• SMILES: COc1ccc(C(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)NC(C)=O)cc1
• InChI: InChI=1S/C19H17Cl2N3O3S2/c1-10(25)22-14(11-3-5-12(27-2)6-4-11)8-17(26)24-19-23-15(9-28-19)13-7-16(20)29-18(13)21/h3-7,9,14H,8H2,1-2H3,(H,22,25)(H,23,24,26)
• InChIKey: NOWIYPUQOSVRAJ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.40
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?

The IUPAC name of 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide (CID 134012182) is 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide.

What is the SMILES notation for 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?

The canonical SMILES for 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)NC(C)=O)cc1.

What is the InChIKey of 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?

The InChIKey is NOWIYPUQOSVRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S2/c1-10(25)22-14(11-3-5-12(27-2)6-4-11)8-17(26)24-19-23-15(9-28-19)13-7-16(20)29-18(13)21/h3-7,9,14H,8H2,1-2H3,(H,22,25)(H,23,24,26).

What are the key properties of 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide?

3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 470.40 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 134012182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).