2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide

C7H8F2N2OS — CID 107168064

IUPAC2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C(F)F)s1
InChIInChI=1S/C7H8F2N2OS/c1-4-2-10-5(13-4)3-11-7(12)6(8)9/h2,6H,3H2,1H3,(H,11,12)
InChIKeyNHGHYMVSZIQHHL-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.33
Rot. Bonds3

About 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide

2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 107168064) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID107168064
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC Name2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)C(F)F)s1
InChIInChI=1S/C7H8F2N2OS/c1-4-2-10-5(13-4)3-11-7(12)6(8)9/h2,6H,3H2,1H3,(H,11,12)
InChIKeyNHGHYMVSZIQHHL-UHFFFAOYSA-N
XLogP1.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-thiazol-5-yl)methyl]acetamide
CID 59473071
N,N-dimethyl-2-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 86789745
1-[4-[[5-(Trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 136537959
(3S)-N-methyl-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 164633225
1-(5-Methyl-1,3-thiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 69714603
(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine;2,2,2-trifluoroacetic acid
CID 69714606
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
5-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2-carboxamide
CID 70669497
2-Aminomethyl-5-trifluoromethylthiazole
CID 83846709
N-(2-fluoroethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 88882440
2,2,2-trifluoro-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104583481
2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 118373198

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 107168064) is 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)C(F)F)s1.
What is the InChIKey of 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is NHGHYMVSZIQHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c1-4-2-10-5(13-4)3-11-7(12)6(8)9/h2,6H,3H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide?
2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 206.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 107168064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).