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

C11H15F3N2O3S2 — CID 58287594

IUPAC2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O3S2/c1-6(2)21(18,19)10(3,4)8(17)16-9-15-7(5-20-9)11(12,13)14/h5-6H,1-4H3,(H,15,16,17)
InChIKeyAIBJTZXXCLACAX-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.70
Rot. Bonds4

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

2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 58287594) has the molecular formula C11H15F3N2O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID58287594
Molecular FormulaC11H15F3N2O3S2
Molecular Weight344.38 g/mol
Exact Mass344.05
IUPAC Name2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O3S2/c1-6(2)21(18,19)10(3,4)8(17)16-9-15-7(5-20-9)11(12,13)14/h5-6H,1-4H3,(H,15,16,17)
InChIKeyAIBJTZXXCLACAX-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 58287594) is 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is AIBJTZXXCLACAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S2/c1-6(2)21(18,19)10(3,4)8(17)16-9-15-7(5-20-9)11(12,13)14/h5-6H,1-4H3,(H,15,16,17).
What are the key properties of 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 58287594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).