N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide

C9H11F3N2OS2 — CID 42959406

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESCc1nc(NC(=O)C(C)SC(F)(F)F)sc1C
InChIInChI=1S/C9H11F3N2OS2/c1-4-5(2)16-8(13-4)14-7(15)6(3)17-9(10,11)12/h6H,1-3H3,(H,13,14,15)
InChIKeyVHLVBDPHWSNPJX-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.34
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide (PubChem CID 42959406) has the molecular formula C9H11F3N2OS2 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
PubChem CID42959406
Molecular FormulaC9H11F3N2OS2
Molecular Weight284.33 g/mol
Exact Mass284.03
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
SMILESCc1nc(NC(=O)C(C)SC(F)(F)F)sc1C
InChIInChI=1S/C9H11F3N2OS2/c1-4-5(2)16-8(13-4)14-7(15)6(3)17-9(10,11)12/h6H,1-3H3,(H,13,14,15)
InChIKeyVHLVBDPHWSNPJX-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide (CID 42959406) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide is Cc1nc(NC(=O)C(C)SC(F)(F)F)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
The InChIKey is VHLVBDPHWSNPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS2/c1-4-5(2)16-8(13-4)14-7(15)6(3)17-9(10,11)12/h6H,1-3H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide has a molecular weight of 284.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 42959406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).