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

C11H15F3N2O3S2 — CID 59703976

IUPAC2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O3S2/c1-4-5-21(18,19)10(2,3)8(17)16-9-15-7(6-20-9)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyJXLALFFOJADENF-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.70
Rot. Bonds5

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

2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 59703976) has the molecular formula C11H15F3N2O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID59703976
Molecular FormulaC11H15F3N2O3S2
Molecular Weight344.38 g/mol
Exact Mass344.05
IUPAC Name2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O3S2/c1-4-5-21(18,19)10(2,3)8(17)16-9-15-7(6-20-9)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyJXLALFFOJADENF-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
N-[4-(2-methoxyethylsulfonylmethyl)-1,3-thiazol-2-yl]acetamide
CID 45892159
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 824432
N-[4-(ethylsulfonylmethyl)thiazol-2-yl]acetamide
CID 504547
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7222642
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 42959444
3-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 45884392
(2S)-2-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 94173388
(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 164641547
4-Isopropyl-2-trifluoroacetylaminothiazole
CID 23115829
2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 45816419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 59703976) is 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CCCS(=O)(=O)C(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is JXLALFFOJADENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S2/c1-4-5-21(18,19)10(2,3)8(17)16-9-15-7(6-20-9)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 59703976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).