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

C11H13F3N2O2S — CID 97051832

IUPACN-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC(F)(F)F)[C@@H]1CCCOC1
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/t8-/m1/s1
InChIKeyRZMLYPXLTAHHID-MRVPVSSYSA-N
MW294.30 g/mol
LogP2.33
Rot. Bonds3

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

N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 97051832) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID97051832
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC(F)(F)F)[C@@H]1CCCOC1
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/t8-/m1/s1
InChIKeyRZMLYPXLTAHHID-MRVPVSSYSA-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-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 97051832) is N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(CC(F)(F)F)[C@@H]1CCCOC1.
What is the InChIKey of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RZMLYPXLTAHHID-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-[(3R)-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-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97051832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).