2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C22H20ClF3N6O2S3 — CID 143534707

About 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 143534707) has the molecular formula C22H20ClF3N6O2S3 and a molecular weight of 589.09 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 143534707
• Molecular Formula: C22H20ClF3N6O2S3
• Molecular Weight: 589.09 g/mol
• Exact Mass: 588.05
• IUPAC Name: 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: Cc1csc(NC(=O)CCl)n1.Cc1csc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)n1
• InChI: InChI=1S/C16H13F3N4OS2.C6H7ClN2OS/c1-8-6-26-15(21-8)23-12(24)7-25-14-10(5-20)13(16(17,18)19)9-3-2-4-11(9)22-14;1-4-3-11-6(8-4)9-5(10)2-7/h6H,2-4,7H2,1H3,(H,21,23,24);3H,2H2,1H3,(H,8,9,10)
• InChIKey: INOIBJICXTYNFQ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 120.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.09
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 143534707) is 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CCl)n1.Cc1csc(NC(=O)CSc2nc3c(c(C(F)(F)F)c2C#N)CCC3)n1.

What is the InChIKey of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is INOIBJICXTYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS2.C6H7ClN2OS/c1-8-6-26-15(21-8)23-12(24)7-25-14-10(5-20)13(16(17,18)19)9-3-2-4-11(9)22-14;1-4-3-11-6(8-4)9-5(10)2-7/h6H,2-4,7H2,1H3,(H,21,23,24);3H,2H2,1H3,(H,8,9,10).

What are the key properties of 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 589.09 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide;2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 143534707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).