2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

C13H19F3N2O2S — CID 86986102

IUPAC2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCC(C)c1nc(CC(=O)NCCCOCC(F)(F)F)cs1
InChIInChI=1S/C13H19F3N2O2S/c1-9(2)12-18-10(7-21-12)6-11(19)17-4-3-5-20-8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,19)
InChIKeyIXSURKCMZCVQHM-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.89
Rot. Bonds8

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

2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (PubChem CID 86986102) has the molecular formula C13H19F3N2O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
PubChem CID86986102
Molecular FormulaC13H19F3N2O2S
Molecular Weight324.37 g/mol
Exact Mass324.11
IUPAC Name2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESCC(C)c1nc(CC(=O)NCCCOCC(F)(F)F)cs1
InChIInChI=1S/C13H19F3N2O2S/c1-9(2)12-18-10(7-21-12)6-11(19)17-4-3-5-20-8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,19)
InChIKeyIXSURKCMZCVQHM-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
N-(2-ethyl-2-hydroxybutyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111463295
N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
5-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-3-carboxamide
CID 87016232
N-(1-hydroxypropan-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 110890212
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46453433
N-(3-butoxypropyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 134015193
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-(3-ethoxypropyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 32979634

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The IUPAC name of 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (CID 86986102) is 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The canonical SMILES for 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is CC(C)c1nc(CC(=O)NCCCOCC(F)(F)F)cs1.
What is the InChIKey of 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The InChIKey is IXSURKCMZCVQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2S/c1-9(2)12-18-10(7-21-12)6-11(19)17-4-3-5-20-8-13(14,15)16/h7,9H,3-6,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide has a molecular weight of 324.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is sourced from PubChem (CID 86986102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).