N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C11H13F3N2O2S — CID 75425519

IUPACN-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC(F)(F)F)C1CCCOC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)6-16(8-2-1-3-18-4-8)10(17)9-5-19-7-15-9/h5,7-8H,1-4,6H2
InChIKeyRZMLYPXLTAHHID-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.33
Rot. Bonds3

About N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 75425519) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID75425519
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC(F)(F)F)C1CCCOC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)6-16(8-2-1-3-18-4-8)10(17)9-5-19-7-15-9/h5,7-8H,1-4,6H2
InChIKeyRZMLYPXLTAHHID-UHFFFAOYSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 75425519) is N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(CC(F)(F)F)C1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RZMLYPXLTAHHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)6-16(8-2-1-3-18-4-8)10(17)9-5-19-7-15-9/h5,7-8H,1-4,6H2.
What are the key properties of N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75425519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).