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

C6H5F3N2OS — CID 1229692

IUPACN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H5F3N2OS/c1-3(12)10-5-11-4(2-13-5)6(7,8)9/h2H,1H3,(H,10,11,12)
InChIKeyXPLIDDGPWBSSCO-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.12
Rot. Bonds1

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

N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1229692) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1229692
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC NameN-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C6H5F3N2OS/c1-3(12)10-5-11-4(2-13-5)6(7,8)9/h2H,1H3,(H,10,11,12)
InChIKeyXPLIDDGPWBSSCO-UHFFFAOYSA-N
XLogP2.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.12
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]acetamide?
The IUPAC name of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 1229692) is N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XPLIDDGPWBSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c1-3(12)10-5-11-4(2-13-5)6(7,8)9/h2H,1H3,(H,10,11,12).
What are the key properties of N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 210.18 g/mol, XLogP of 2.12, 1 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]acetamide is sourced from PubChem (CID 1229692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).