[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

C₂₀H₂₆N₆O₃S — CID 154616734

About [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate

[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (PubChem CID 154616734) has the molecular formula C₂₀H₂₆N₆O₃S and a molecular weight of 430.53 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

Molecular Properties

• Compound Name: [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
• PubChem CID: 154616734
• Molecular Formula: C₂₀H₂₆N₆O₃S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.18
• IUPAC Name: [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
• SMILES: CCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4c(C)csc4n3)n[nH]2)C1
• InChI: InChI=1S/C20H26N6O3S/c1-3-6-21-20(28)29-15-5-4-13(7-15)16-9-17(25-24-16)23-18(27)8-14-10-26-12(2)11-30-19(26)22-14/h9-11,13,15H,3-8H2,1-2H3,(H,21,28)(H2,23,24,25,27)/t13-,15+/m1/s1
• InChIKey: GNMLLRJTVURIFM-HIFRSBDPSA-N
• XLogP: 3.38
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?

The IUPAC name of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate (CID 154616734) is [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate.

What is the SMILES notation for [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?

The canonical SMILES for [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is CCCNC(=O)O[C@H]1CC[C@@H](c2cc(NC(=O)Cc3cn4c(C)csc4n3)n[nH]2)C1.

What is the InChIKey of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?

The InChIKey is GNMLLRJTVURIFM-HIFRSBDPSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-3-6-21-20(28)29-15-5-4-13(7-15)16-9-17(25-24-16)23-18(27)8-14-10-26-12(2)11-30-19(26)22-14/h9-11,13,15H,3-8H2,1-2H3,(H,21,28)(H2,23,24,25,27)/t13-,15+/m1/s1.

What are the key properties of [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate?

[(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate has a molecular weight of 430.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R)-3-[3-[[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate is sourced from PubChem (CID 154616734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154616734 — identifiers, structure, computed properties (public domain)

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