N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

C7H7F3N2OS — CID 156513582

IUPACN-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F3N2OS/c1-4(13)11-2-6-12-5(3-14-6)7(8,9)10/h3H,2H2,1H3,(H,11,13)
InChIKeyOPTLMVBBIHRHJP-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.80
Rot. Bonds2

About N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 156513582) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID156513582
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H7F3N2OS/c1-4(13)11-2-6-12-5(3-14-6)7(8,9)10/h3H,2H2,1H3,(H,11,13)
InChIKeyOPTLMVBBIHRHJP-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 156513582) is N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NCc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is OPTLMVBBIHRHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4(13)11-2-6-12-5(3-14-6)7(8,9)10/h3H,2H2,1H3,(H,11,13).
What are the key properties of N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 224.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 156513582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).