2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide

C42H39N9O3S3 — CID 158742804

About 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide

2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 158742804) has the molecular formula C42H39N9O3S3 and a molecular weight of 814.04 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide
• PubChem CID: 158742804
• Molecular Formula: C42H39N9O3S3
• Molecular Weight: 814.04 g/mol
• Exact Mass: 813.23
• IUPAC Name: 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide
• SMILES: Cc1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1.O=C(CCCc1c[nH]c2ccccc12)Nc1nccs1.O=C(Cc1c[nH]c2ccccc12)Nc1nccs1
• InChI: InChI=1S/C15H15N3OS.C14H13N3OS.C13H11N3OS/c19-14(18-15-16-8-9-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13;1-9-7-16-14(19-9)17-13(18)6-10-8-15-12-5-3-2-4-11(10)12;17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,18,19);2-5,7-8,15H,6H2,1H3,(H,16,17,18);1-6,8,15H,7H2,(H,14,16,17)
• InChIKey: IMMXAZYAKGTXRA-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 173.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	814.04
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?

The IUPAC name of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 158742804) is 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide.

What is the SMILES notation for 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?

The canonical SMILES for 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)Cc2c[nH]c3ccccc23)s1.O=C(CCCc1c[nH]c2ccccc12)Nc1nccs1.O=C(Cc1c[nH]c2ccccc12)Nc1nccs1.

What is the InChIKey of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?

The InChIKey is IMMXAZYAKGTXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS.C14H13N3OS.C13H11N3OS/c19-14(18-15-16-8-9-20-15)7-3-4-11-10-17-13-6-2-1-5-12(11)13;1-9-7-16-14(19-9)17-13(18)6-10-8-15-12-5-3-2-4-11(10)12;17-12(16-13-14-5-6-18-13)7-9-8-15-11-4-2-1-3-10(9)11/h1-2,5-6,8-10,17H,3-4,7H2,(H,16,18,19);2-5,7-8,15H,6H2,1H3,(H,16,17,18);1-6,8,15H,7H2,(H,14,16,17).

What are the key properties of 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide?

2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 814.04 g/mol, XLogP of 9.51, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indol-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide;2-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)acetamide;4-(1H-indol-3-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 158742804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).