2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C12H15F3N2O3S — CID 48856156

IUPAC2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N2O3S/c1-7(20-5-8-3-2-4-19-8)10(18)17-11-16-9(6-21-11)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17,18)
InChIKeyPYIGZSPZMIVHGU-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.68
Rot. Bonds5

About 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 48856156) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID48856156
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(OCC1CCCO1)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N2O3S/c1-7(20-5-8-3-2-4-19-8)10(18)17-11-16-9(6-21-11)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17,18)
InChIKeyPYIGZSPZMIVHGU-UHFFFAOYSA-N
XLogP2.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2998736
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164633917
N-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45802599
2-(2-methoxyethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78863568
2-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78863621
2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78872137
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874132
3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 78875705
2-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78876267
2-(cyclopropylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78876406
2-cyclopentyloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 78887939

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 48856156) is 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(OCC1CCCO1)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is PYIGZSPZMIVHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-7(20-5-8-3-2-4-19-8)10(18)17-11-16-9(6-21-11)12(13,14)15/h6-8H,2-5H2,1H3,(H,16,17,18).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 324.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 48856156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).