N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide

C9H12F2N2OS — CID 103515686

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESCC(C)(C)c1csc(NC(=O)C(F)F)n1
InChIInChI=1S/C9H12F2N2OS/c1-9(2,3)5-4-15-8(12-5)13-7(14)6(10)11/h4,6H,1-3H3,(H,12,13,14)
InChIKeyPWUWTBUWWIIAPJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.64
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide (PubChem CID 103515686) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
PubChem CID103515686
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide
SMILESCC(C)(C)c1csc(NC(=O)C(F)F)n1
InChIInChI=1S/C9H12F2N2OS/c1-9(2,3)5-4-15-8(12-5)13-7(14)6(10)11/h4,6H,1-3H3,(H,12,13,14)
InChIKeyPWUWTBUWWIIAPJ-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 4272947
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 1244149
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
2,2,2-Trifluoro-N-[4-(trifluoromethyl)-2-thiazolyl]acetamide
CID 15710699
3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 3902865
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
CID 162666134

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide (CID 103515686) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide is CC(C)(C)c1csc(NC(=O)C(F)F)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
The InChIKey is PWUWTBUWWIIAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-9(2,3)5-4-15-8(12-5)13-7(14)6(10)11/h4,6H,1-3H3,(H,12,13,14).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide has a molecular weight of 234.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).