N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C21H26N6O3S2 — CID 30599265

About N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 30599265) has the molecular formula C21H26N6O3S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

• Compound Name: N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
• PubChem CID: 30599265
• Molecular Formula: C21H26N6O3S2
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.15
• IUPAC Name: N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
• SMILES: Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)c2C)cs1
• InChI: InChI=1S/C21H26N6O3S2/c1-12-9-16(17-11-31-15(4)23-17)14(3)27(12)10-18(28)24-25-20(29)19-13(2)22-21(32-19)26-5-7-30-8-6-26/h9,11H,5-8,10H2,1-4H3,(H,24,28)(H,25,29)
• InChIKey: QWJOUXOTWPSFEP-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?

The IUPAC name of N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 30599265) is N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

What is the SMILES notation for N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?

The canonical SMILES for N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3sc(N4CCOCC4)nc3C)c2C)cs1.

What is the InChIKey of N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?

The InChIKey is QWJOUXOTWPSFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S2/c1-12-9-16(17-11-31-15(4)23-17)14(3)27(12)10-18(28)24-25-20(29)19-13(2)22-21(32-19)26-5-7-30-8-6-26/h9,11H,5-8,10H2,1-4H3,(H,24,28)(H,25,29).

What are the key properties of N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?

N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 474.61 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 30599265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).