N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide

C16H18F2N2O2S — CID 86897326

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cccc(OC(F)F)c2)n1
InChIInChI=1S/C16H18F2N2O2S/c1-16(2,3)12-9-23-15(19-12)20-13(21)8-10-5-4-6-11(7-10)22-14(17)18/h4-7,9,14H,8H2,1-3H3,(H,19,20,21)
InChIKeyGLRJUVHCLHLWFX-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.22
Rot. Bonds5

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide (PubChem CID 86897326) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
PubChem CID86897326
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cccc(OC(F)F)c2)n1
InChIInChI=1S/C16H18F2N2O2S/c1-16(2,3)12-9-23-15(19-12)20-13(21)8-10-5-4-6-11(7-10)22-14(17)18/h4-7,9,14H,8H2,1-3H3,(H,19,20,21)
InChIKeyGLRJUVHCLHLWFX-UHFFFAOYSA-N
XLogP4.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 41107614
3-(3-aminophenyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 80695377
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 166634928
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(7-methyl-1-benzothiophen-3-yl)acetamide
CID 166633694
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 42995912
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-(2-aminophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 8553866
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide (CID 86897326) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide is CC(C)(C)c1csc(NC(=O)Cc2cccc(OC(F)F)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide?
The InChIKey is GLRJUVHCLHLWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-16(2,3)12-9-23-15(19-12)20-13(21)8-10-5-4-6-11(7-10)22-14(17)18/h4-7,9,14H,8H2,1-3H3,(H,19,20,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide has a molecular weight of 340.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 86897326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).