(2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

C24H20Cl2N2O3S — CID 155254228

About (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide

(2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254228) has the molecular formula C24H20Cl2N2O3S and a molecular weight of 487.41 g/mol. Its IUPAC name is (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 155254228
• Molecular Formula: C24H20Cl2N2O3S
• Molecular Weight: 487.41 g/mol
• Exact Mass: 486.06
• IUPAC Name: (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC12CC(c3csc(-c4ccc(Cl)cc4)n3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C24H20Cl2N2O3S/c25-14-3-1-13(2-4-14)22-27-20(9-32-22)23-10-24(11-23,12-23)28-21(30)19-8-17(29)16-7-15(26)5-6-18(16)31-19/h1-7,9,17,19,29H,8,10-12H2,(H,28,30)/t17-,19+,23?,24?/m1/s1
• InChIKey: SBKIYIJQWDEIFT-PKCFSEMTSA-N
• XLogP: 5.29
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.41
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254228) is (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(c3csc(-c4ccc(Cl)cc4)n3)(C1)C2)[C@@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is SBKIYIJQWDEIFT-PKCFSEMTSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3S/c25-14-3-1-13(2-4-14)22-27-20(9-32-22)23-10-24(11-23,12-23)28-21(30)19-8-17(29)16-7-15(26)5-6-18(16)31-19/h1-7,9,17,19,29H,8,10-12H2,(H,28,30)/t17-,19+,23?,24?/m1/s1.

What are the key properties of (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide?

(2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 487.41 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-6-chloro-N-[3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).