5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide

C9H7F7N2OS — CID 126831320

IUPAC5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)ns1
InChIInChI=1S/C9H7F7N2OS/c1-4-2-5(18-20-4)6(19)17-3-7(10,8(11,12)13)9(14,15)16/h2H,3H2,1H3,(H,17,19)
InChIKeyILLIRVVUSRHXLU-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide

5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide (PubChem CID 126831320) has the molecular formula C9H7F7N2OS and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide
PubChem CID126831320
Molecular FormulaC9H7F7N2OS
Molecular Weight324.22 g/mol
Exact Mass324.02
IUPAC Name5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)ns1
InChIInChI=1S/C9H7F7N2OS/c1-4-2-5(18-20-4)6(19)17-3-7(10,8(11,12)13)9(14,15)16/h2H,3H2,1H3,(H,17,19)
InChIKeyILLIRVVUSRHXLU-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide (CID 126831320) is 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)ns1.
What is the InChIKey of 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide?
The InChIKey is ILLIRVVUSRHXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F7N2OS/c1-4-2-5(18-20-4)6(19)17-3-7(10,8(11,12)13)9(14,15)16/h2H,3H2,1H3,(H,17,19).
What are the key properties of 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide?
5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126831320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).