5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C27H18ClN3OS — CID 23803796

About 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 23803796) has the molecular formula C27H18ClN3OS and a molecular weight of 467.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
• PubChem CID: 23803796
• Molecular Formula: C27H18ClN3OS
• Molecular Weight: 467.98 g/mol
• Exact Mass: 467.09
• IUPAC Name: 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
• SMILES: O=c1c(=Cc2c[nH]c3ccccc23)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2
• InChI: InChI=1S/C27H18ClN3OS/c28-20-12-10-18(11-13-20)24-15-23(17-6-2-1-3-7-17)30-27-31(24)26(32)25(33-27)14-19-16-29-22-9-5-4-8-21(19)22/h1-16,24,29H
• InChIKey: HGEDHYYNEKKECB-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 50.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.98
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The IUPAC name of 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 23803796) is 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

What is the SMILES notation for 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The canonical SMILES for 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=c1c(=Cc2c[nH]c3ccccc23)sc2n1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N=2.

What is the InChIKey of 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

The InChIKey is HGEDHYYNEKKECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN3OS/c28-20-12-10-18(11-13-20)24-15-23(17-6-2-1-3-7-17)30-27-31(24)26(32)25(33-27)14-19-16-29-22-9-5-4-8-21(19)22/h1-16,24,29H.

What are the key properties of 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?

5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 467.98 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-2-(1H-indol-3-ylmethylidene)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 23803796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).