2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C16H23F3N2O2S — CID 102559435

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)c1nc(CC(=O)N(CC(F)(F)F)C2CCCOC2)cs1
InChIInChI=1S/C16H23F3N2O2S/c1-15(2,3)14-20-11(9-24-14)7-13(22)21(10-16(17,18)19)12-5-4-6-23-8-12/h9,12H,4-8,10H2,1-3H3
InChIKeyJRZLVVSUPFJAOQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.55
Rot. Bonds4

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102559435) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102559435
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)c1nc(CC(=O)N(CC(F)(F)F)C2CCCOC2)cs1
InChIInChI=1S/C16H23F3N2O2S/c1-15(2,3)14-20-11(9-24-14)7-13(22)21(10-16(17,18)19)12-5-4-6-23-8-12/h9,12H,4-8,10H2,1-3H3
InChIKeyJRZLVVSUPFJAOQ-UHFFFAOYSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Related Compounds

1-Morpholin-4-yl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 45819394
1-(2,5-Dimethylmorpholin-4-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 53527424
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60538070
(3S)-3-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]morpholine
CID 70724854
2-(2-Methyl-1,3-thiazol-4-yl)-1-(8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
CID 86768657
2-(2-Methyl-1,3-thiazol-4-yl)-1-morpholin-4-ylethanone
CID 47005401
N-(2,2-dimethylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56786558
4-[(2-Methyl-1,3-thiazol-4-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 70735143
1-[4-[2,2-Difluoroethyl(methyl)amino]piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 72121131
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95870117
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95870118
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 107483015

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 102559435) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)c1nc(CC(=O)N(CC(F)(F)F)C2CCCOC2)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JRZLVVSUPFJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-15(2,3)14-20-11(9-24-14)7-13(22)21(10-16(17,18)19)12-5-4-6-23-8-12/h9,12H,4-8,10H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102559435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).