2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

C14H19F3N2O2S — CID 71985925

IUPAC2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)CC1CCOCC1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H19F3N2O2S/c1-2-10(13-19-11(8-22-13)14(15,16)17)18-12(20)7-9-3-5-21-6-4-9/h8-10H,2-7H2,1H3,(H,18,20)
InChIKeyLJDCKBRFSMJIIW-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.55
Rot. Bonds5

About 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (PubChem CID 71985925) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
PubChem CID71985925
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC Name2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)CC1CCOCC1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C14H19F3N2O2S/c1-2-10(13-19-11(8-22-13)14(15,16)17)18-12(20)7-9-3-5-21-6-4-9/h8-10H,2-7H2,1H3,(H,18,20)
InChIKeyLJDCKBRFSMJIIW-UHFFFAOYSA-N
XLogP3.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (CID 71985925) is 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is CCC(NC(=O)CC1CCOCC1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The InChIKey is LJDCKBRFSMJIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-2-10(13-19-11(8-22-13)14(15,16)17)18-12(20)7-9-3-5-21-6-4-9/h8-10H,2-7H2,1H3,(H,18,20).
What are the key properties of 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide has a molecular weight of 336.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is sourced from PubChem (CID 71985925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).