[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate

C20H20F3N5O4S — CID 172625370

IUPAC[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILESCC(C)(c1cc(NC(=O)OC2CC3(C2)CN(C(=O)c2cnn4ccsc24)C3)no1)C(F)(F)F
InChIInChI=1S/C20H20F3N5O4S/c1-18(2,20(21,22)23)13-5-14(26-32-13)25-17(30)31-11-6-19(7-11)9-27(10-19)15(29)12-8-24-28-3-4-33-16(12)28/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,25,26,30)
InChIKeyJKIOUNCMDFJUDD-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.08
Rot. Bonds4

About [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate

[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate (PubChem CID 172625370) has the molecular formula C20H20F3N5O4S and a molecular weight of 483.47 g/mol. Its IUPAC name is [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate.

Molecular Properties

Compound Name[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
PubChem CID172625370
Molecular FormulaC20H20F3N5O4S
Molecular Weight483.47 g/mol
Exact Mass483.12
IUPAC Name[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILESCC(C)(c1cc(NC(=O)OC2CC3(C2)CN(C(=O)c2cnn4ccsc24)C3)no1)C(F)(F)F
InChIInChI=1S/C20H20F3N5O4S/c1-18(2,20(21,22)23)13-5-14(26-32-13)25-17(30)31-11-6-19(7-11)9-27(10-19)15(29)12-8-24-28-3-4-33-16(12)28/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,25,26,30)
InChIKeyJKIOUNCMDFJUDD-UHFFFAOYSA-N
XLogP4.08
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The IUPAC name of [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate (CID 172625370) is [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate.
What is the SMILES notation for [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The canonical SMILES for [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is CC(C)(c1cc(NC(=O)OC2CC3(C2)CN(C(=O)c2cnn4ccsc24)C3)no1)C(F)(F)F.
What is the InChIKey of [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The InChIKey is JKIOUNCMDFJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O4S/c1-18(2,20(21,22)23)13-5-14(26-32-13)25-17(30)31-11-6-19(7-11)9-27(10-19)15(29)12-8-24-28-3-4-33-16(12)28/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,25,26,30).
What are the key properties of [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
[2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate has a molecular weight of 483.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyrazolo[5,1-b][1,3]thiazole-7-carbonyl)-2-azaspiro[3.3]heptan-6-yl] N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 172625370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).