N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C18H12ClN3O2S2 — CID 24593449

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 24593449) has the molecular formula C18H12ClN3O2S2 and a molecular weight of 401.90 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
• PubChem CID: 24593449
• Molecular Formula: C18H12ClN3O2S2
• Molecular Weight: 401.90 g/mol
• Exact Mass: 401.01
• IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
• SMILES: C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(Cl)s2)cs1
• InChI: InChI=1S/C18H12ClN3O2S2/c1-10-11-4-2-3-5-12(11)17(24)22(10)8-16(23)21-18-20-13(9-25-18)14-6-7-15(19)26-14/h2-7,9H,1,8H2,(H,20,21,23)
• InChIKey: WBCPXHUXFXKSSJ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.90
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 24593449) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc(-c2ccc(Cl)s2)cs1.

What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

The InChIKey is WBCPXHUXFXKSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S2/c1-10-11-4-2-3-5-12(11)17(24)22(10)8-16(23)21-18-20-13(9-25-18)14-6-7-15(19)26-14/h2-7,9H,1,8H2,(H,20,21,23).

What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 401.90 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 24593449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).