2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide

C7H8F2N2OS2 — CID 139355813

IUPAC2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCSc1nc(NC(=O)C(F)F)c(C)s1
InChIInChI=1S/C7H8F2N2OS2/c1-3-5(10-6(12)4(8)9)11-7(13-2)14-3/h4H,1-2H3,(H,10,12)
InChIKeyRNKRHXJJKVCZAP-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.38
Rot. Bonds3

About 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide

2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide (PubChem CID 139355813) has the molecular formula C7H8F2N2OS2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide
PubChem CID139355813
Molecular FormulaC7H8F2N2OS2
Molecular Weight238.28 g/mol
Exact Mass238.00
IUPAC Name2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide
SMILESCSc1nc(NC(=O)C(F)F)c(C)s1
InChIInChI=1S/C7H8F2N2OS2/c1-3-5(10-6(12)4(8)9)11-7(13-2)14-3/h4H,1-2H3,(H,10,12)
InChIKeyRNKRHXJJKVCZAP-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide (CID 139355813) is 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide is CSc1nc(NC(=O)C(F)F)c(C)s1.
What is the InChIKey of 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RNKRHXJJKVCZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS2/c1-3-5(10-6(12)4(8)9)11-7(13-2)14-3/h4H,1-2H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide?
2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 238.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(5-methyl-2-methylsulfanyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 139355813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).