2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C21H19N5O2S2 — CID 59729242

About 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 59729242) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 59729242
• Molecular Formula: C21H19N5O2S2
• Molecular Weight: 437.55 g/mol
• Exact Mass: 437.10
• IUPAC Name: 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: COc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(-c3csnn3)cc2)s1
• InChI: InChI=1S/C21H19N5O2S2/c1-13-19(30-21(23-13)24-16-5-3-4-6-18(16)28-2)20(27)22-11-14-7-9-15(10-8-14)17-12-29-26-25-17/h3-10,12H,11H2,1-2H3,(H,22,27)(H,23,24)
• InChIKey: JBOXGSVPUURTMF-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.55
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 59729242) is 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is COc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(-c3csnn3)cc2)s1.

What is the InChIKey of 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is JBOXGSVPUURTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c1-13-19(30-21(23-13)24-16-5-3-4-6-18(16)28-2)20(27)22-11-14-7-9-15(10-8-14)17-12-29-26-25-17/h3-10,12H,11H2,1-2H3,(H,22,27)(H,23,24).

What are the key properties of 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?

2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyanilino)-4-methyl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59729242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).