5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C22H25N5O3S — CID 142197876

About 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 142197876) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 142197876
• Molecular Formula: C22H25N5O3S
• Molecular Weight: 439.54 g/mol
• Exact Mass: 439.17
• IUPAC Name: 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: Cc1ccc2[nH]c(C(=O)N[C@@H]3COC[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)cc2c1
• InChI: InChI=1S/C22H25N5O3S/c1-12-3-4-14-13(7-12)8-16(23-14)20(28)24-17-10-30-11-18(17)25-21(29)22-26-15-5-6-27(2)9-19(15)31-22/h3-4,7-8,17-18,23H,5-6,9-11H2,1-2H3,(H,24,28)(H,25,29)/t17-,18-/m1/s1
• InChIKey: AZGDIXCUOQTAIK-QZTJIDSGSA-N
• XLogP: 1.85
• TPSA: 99.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.54
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 142197876) is 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is Cc1ccc2[nH]c(C(=O)N[C@@H]3COC[C@H]3NC(=O)c3nc4c(s3)CN(C)CC4)cc2c1.

What is the InChIKey of 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is AZGDIXCUOQTAIK-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-12-3-4-14-13(7-12)8-16(23-14)20(28)24-17-10-30-11-18(17)25-21(29)22-26-15-5-6-27(2)9-19(15)31-22/h3-4,7-8,17-18,23H,5-6,9-11H2,1-2H3,(H,24,28)(H,25,29)/t17-,18-/m1/s1.

What are the key properties of 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(3S,4S)-4-[(5-methyl-1H-indole-2-carbonyl)amino]oxolan-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 142197876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).