N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide

C11H15F3N2OS2 — CID 42959444

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESCC(SC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H15F3N2OS2/c1-6(19-11(12,13)14)8(17)16-9-15-7(5-18-9)10(2,3)4/h5-6H,1-4H3,(H,15,16,17)
InChIKeyOIPBWERABLMESV-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.02
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 42959444) has the molecular formula C11H15F3N2OS2 and a molecular weight of 312.38 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
PubChem CID42959444
Molecular FormulaC11H15F3N2OS2
Molecular Weight312.38 g/mol
Exact Mass312.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESCC(SC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H15F3N2OS2/c1-6(19-11(12,13)14)8(17)16-9-15-7(5-18-9)10(2,3)4/h5-6H,1-4H3,(H,15,16,17)
InChIKeyOIPBWERABLMESV-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide (CID 42959444) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide is CC(SC(F)(F)F)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is OIPBWERABLMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS2/c1-6(19-11(12,13)14)8(17)16-9-15-7(5-18-9)10(2,3)4/h5-6H,1-4H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide has a molecular weight of 312.38 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 42959444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).