N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C14H19F3N2O2S — CID 97237831

IUPACN-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)s1
InChIInChI=1S/C14H19F3N2O2S/c1-9(2)12-18-6-11(22-12)13(20)19(8-14(15,16)17)10-4-3-5-21-7-10/h6,9-10H,3-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyOCOLOSWZIKARSD-JTQLQIEISA-N
MW336.38 g/mol
LogP3.45
Rot. Bonds4

About N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 97237831) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID97237831
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)s1
InChIInChI=1S/C14H19F3N2O2S/c1-9(2)12-18-6-11(22-12)13(20)19(8-14(15,16)17)10-4-3-5-21-7-10/h6,9-10H,3-5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyOCOLOSWZIKARSD-JTQLQIEISA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 97237831) is N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CC(C)c1ncc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)s1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OCOLOSWZIKARSD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-9(2)12-18-6-11(22-12)13(20)19(8-14(15,16)17)10-4-3-5-21-7-10/h6,9-10H,3-5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97237831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).