N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide

C16H17Cl2N3O3S2 — CID 112838178

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide (PubChem CID 112838178) has the molecular formula C16H17Cl2N3O3S2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
• PubChem CID: 112838178
• Molecular Formula: C16H17Cl2N3O3S2
• Molecular Weight: 434.37 g/mol
• Exact Mass: 433.01
• IUPAC Name: N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
• SMILES: O=C(CCN1CCCS1(=O)=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1
• InChI: InChI=1S/C16H17Cl2N3O3S2/c17-13-4-1-3-11(15(13)18)9-12-10-19-16(25-12)20-14(22)5-7-21-6-2-8-26(21,23)24/h1,3-4,10H,2,5-9H2,(H,19,20,22)
• InChIKey: FGVDJCFLFQYTLQ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.37
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?

The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide (CID 112838178) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide.

What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?

The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide is O=C(CCN1CCCS1(=O)=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1.

What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?

The InChIKey is FGVDJCFLFQYTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S2/c17-13-4-1-3-11(15(13)18)9-12-10-19-16(25-12)20-14(22)5-7-21-6-2-8-26(21,23)24/h1,3-4,10H,2,5-9H2,(H,19,20,22).

What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide?

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide has a molecular weight of 434.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide is sourced from PubChem (CID 112838178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).