N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C13H17F3N2O2S — CID 136535244

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2csc(C(F)(F)F)n2)C(C)(C)O1
InChIInChI=1S/C13H17F3N2O2S/c1-11(2)5-8(12(3,4)20-11)18-9(19)7-6-21-10(17-7)13(14,15)16/h6,8H,5H2,1-4H3,(H,18,19)
InChIKeyXFROOBNFNVYDNJ-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.24
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 136535244) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID136535244
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2csc(C(F)(F)F)n2)C(C)(C)O1
InChIInChI=1S/C13H17F3N2O2S/c1-11(2)5-8(12(3,4)20-11)18-9(19)7-6-21-10(17-7)13(14,15)16/h6,8H,5H2,1-4H3,(H,18,19)
InChIKeyXFROOBNFNVYDNJ-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 136535244) is N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is CC1(C)CC(NC(=O)c2csc(C(F)(F)F)n2)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XFROOBNFNVYDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-11(2)5-8(12(3,4)20-11)18-9(19)7-6-21-10(17-7)13(14,15)16/h6,8H,5H2,1-4H3,(H,18,19).
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 322.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136535244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).