N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide

C6H4ClF3N2OS — CID 15091385

IUPACN-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2OS/c1-2(13)11-4-3(6(8,9)10)12-5(7)14-4/h1H3,(H,11,13)
InChIKeyMGJPGWFVVHGBAL-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.77
Rot. Bonds1

About N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide

N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 15091385) has the molecular formula C6H4ClF3N2OS and a molecular weight of 244.63 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide
PubChem CID15091385
Molecular FormulaC6H4ClF3N2OS
Molecular Weight244.63 g/mol
Exact Mass243.97
IUPAC NameN-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)Nc1sc(Cl)nc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2OS/c1-2(13)11-4-3(6(8,9)10)12-5(7)14-4/h1H3,(H,11,13)
InChIKeyMGJPGWFVVHGBAL-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide (CID 15091385) is N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide is CC(=O)Nc1sc(Cl)nc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is MGJPGWFVVHGBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2OS/c1-2(13)11-4-3(6(8,9)10)12-5(7)14-4/h1H3,(H,11,13).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide?
N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 244.63 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 15091385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).