2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide

C27H25N3O2S2 — CID 19711913

About 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide

2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide (PubChem CID 19711913) has the molecular formula C27H25N3O2S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
• PubChem CID: 19711913
• Molecular Formula: C27H25N3O2S2
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.14
• IUPAC Name: 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1ccc(SC(C)C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1
• InChI: InChI=1S/C27H25N3O2S2/c1-17-9-7-8-12-23(17)26(32)28-21-13-15-22(16-14-21)33-19(3)25(31)30-27-29-24(18(2)34-27)20-10-5-4-6-11-20/h4-16,19H,1-3H3,(H,28,32)(H,29,30,31)
• InChIKey: FRKBFXKNTSQTIA-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The IUPAC name of 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide (CID 19711913) is 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

What is the SMILES notation for 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The canonical SMILES for 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(SC(C)C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1.

What is the InChIKey of 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

The InChIKey is FRKBFXKNTSQTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2S2/c1-17-9-7-8-12-23(17)26(32)28-21-13-15-22(16-14-21)33-19(3)25(31)30-27-29-24(18(2)34-27)20-10-5-4-6-11-20/h4-16,19H,1-3H3,(H,28,32)(H,29,30,31).

What are the key properties of 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide?

2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 487.65 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[1-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19711913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).