[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C₁₉H₂₄N₄O₄S — CID 171719198

About [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 171719198) has the molecular formula C₁₉H₂₄N₄O₄S and a molecular weight of 404.49 g/mol. Its IUPAC name is [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 171719198
• Molecular Formula: C₁₉H₂₄N₄O₄S
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.15
• IUPAC Name: [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cc1cc(CC(=O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)s2)on1
• InChI: InChI=1S/C19H24N4O4S/c1-11-7-14(27-23-11)9-16(24)21-17-20-10-15(28-17)12-3-4-13(8-12)26-18(25)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,22,25)(H,20,21,24)/t12-,13+/m1/s1
• InChIKey: VLZNLKKHHGIJBF-OLZOCXBDSA-N
• XLogP: 3.54
• TPSA: 106.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 171719198) is [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is Cc1cc(CC(=O)Nc2ncc([C@@H]3CC[C@H](OC(=O)NC4(C)CC4)C3)s2)on1.

What is the InChIKey of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is VLZNLKKHHGIJBF-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-11-7-14(27-23-11)9-16(24)21-17-20-10-15(28-17)12-3-4-13(8-12)26-18(25)22-19(2)5-6-19/h7,10,12-13H,3-6,8-9H2,1-2H3,(H,22,25)(H,20,21,24)/t12-,13+/m1/s1.

What are the key properties of [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 404.49 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3R)-3-[2-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 171719198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171719198 — identifiers, structure, computed properties (public domain)

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