2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide

C24H29N11O3S2 — CID 139897613

About 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide

2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide (PubChem CID 139897613) has the molecular formula C24H29N11O3S2 and a molecular weight of 583.70 g/mol. Its IUPAC name is 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide.

Molecular Properties

• Compound Name: 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide
• PubChem CID: 139897613
• Molecular Formula: C24H29N11O3S2
• Molecular Weight: 583.70 g/mol
• Exact Mass: 583.19
• IUPAC Name: 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide
• SMILES: [H]/N=C(\N)c1ccc2cc(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)CN(C)CC5)C(CCc4nn[nH]n4)C3)[nH]c2c1
• InChI: InChI=1S/C24H29N11O3S2/c1-33-7-6-17-19(13-33)39-23(28-17)24(36)35-9-8-34(12-16(35)4-5-20-29-31-32-30-20)40(37,38)21-11-14-2-3-15(22(25)26)10-18(14)27-21/h2-3,10-11,16,27H,4-9,12-13H2,1H3,(H3,25,26)(H,29,30,31,32)
• InChIKey: XEZSGVIGLIGIJW-UHFFFAOYSA-N
• XLogP: 0.56
• TPSA: 193.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.70
LogP ≤ 5	0.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide?

The IUPAC name of 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide (CID 139897613) is 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide.

What is the SMILES notation for 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide?

The canonical SMILES for 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc2cc(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)CN(C)CC5)C(CCc4nn[nH]n4)C3)[nH]c2c1.

What is the InChIKey of 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide?

The InChIKey is XEZSGVIGLIGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N11O3S2/c1-33-7-6-17-19(13-33)39-23(28-17)24(36)35-9-8-34(12-16(35)4-5-20-29-31-32-30-20)40(37,38)21-11-14-2-3-15(22(25)26)10-18(14)27-21/h2-3,10-11,16,27H,4-9,12-13H2,1H3,(H3,25,26)(H,29,30,31,32).

What are the key properties of 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide?

2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide has a molecular weight of 583.70 g/mol, XLogP of 0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-[2-(2H-tetrazol-5-yl)ethyl]piperazin-1-yl]sulfonyl-1H-indole-6-carboximidamide is sourced from PubChem (CID 139897613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).