N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C25H16ClFN4O2S2 — CID 23737172

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 23737172) has the molecular formula C25H16ClFN4O2S2 and a molecular weight of 523.01 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
• PubChem CID: 23737172
• Molecular Formula: C25H16ClFN4O2S2
• Molecular Weight: 523.01 g/mol
• Exact Mass: 522.04
• IUPAC Name: N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
• SMILES: O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1nc(-c2ccccc2Cl)cs1
• InChI: InChI=1S/C25H16ClFN4O2S2/c26-19-7-3-1-5-17(19)21-13-34-24(28-21)30-22(32)14-35-25-29-20-8-4-2-6-18(20)23(33)31(25)16-11-9-15(27)10-12-16/h1-13H,14H2,(H,28,30,32)
• InChIKey: JEGUUZAVCKUDRZ-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.01
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 23737172) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1nc(-c2ccccc2Cl)cs1.

What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

The InChIKey is JEGUUZAVCKUDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN4O2S2/c26-19-7-3-1-5-17(19)21-13-34-24(28-21)30-22(32)14-35-25-29-20-8-4-2-6-18(20)23(33)31(25)16-11-9-15(27)10-12-16/h1-13H,14H2,(H,28,30,32).

What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 523.01 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 23737172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).