5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C22H14Cl4N2O2S — CID 18808863

About 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 18808863) has the molecular formula C22H14Cl4N2O2S and a molecular weight of 512.25 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• PubChem CID: 18808863
• Molecular Formula: C22H14Cl4N2O2S
• Molecular Weight: 512.25 g/mol
• Exact Mass: 509.95
• IUPAC Name: 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
• SMILES: Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1
• InChI: InChI=1S/C22H14Cl4N2O2S/c1-11-16(9-20(30-11)12-5-13(23)7-14(24)6-12)21(29)28-22-27-10-15(31-22)8-17-18(25)3-2-4-19(17)26/h2-7,9-10H,8H2,1H3,(H,27,28,29)
• InChIKey: XZDGNVKMIRAWEK-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.25
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The IUPAC name of 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 18808863) is 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

What is the SMILES notation for 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The canonical SMILES for 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1C(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1.

What is the InChIKey of 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

The InChIKey is XZDGNVKMIRAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4N2O2S/c1-11-16(9-20(30-11)12-5-13(23)7-14(24)6-12)21(29)28-22-27-10-15(31-22)8-17-18(25)3-2-4-19(17)26/h2-7,9-10H,8H2,1H3,(H,27,28,29).

What are the key properties of 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?

5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 512.25 g/mol, XLogP of 8.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dichlorophenyl)-N-[5-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 18808863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).