2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C14H15F3N4OS — CID 167869821

IUPAC2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccccc1-c1nsc(NC(C)C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C14H15F3N4OS/c1-8-5-3-4-6-10(8)11-20-13(23-21-11)19-9(2)12(22)18-7-14(15,16)17/h3-6,9H,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyUZUYQVASZXXNEE-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.99
Rot. Bonds5

About 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 167869821) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID167869821
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1ccccc1-c1nsc(NC(C)C(=O)NCC(F)(F)F)n1
InChIInChI=1S/C14H15F3N4OS/c1-8-5-3-4-6-10(8)11-20-13(23-21-11)19-9(2)12(22)18-7-14(15,16)17/h3-6,9H,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyUZUYQVASZXXNEE-UHFFFAOYSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 167869821) is 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is Cc1ccccc1-c1nsc(NC(C)C(=O)NCC(F)(F)F)n1.
What is the InChIKey of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UZUYQVASZXXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-8-5-3-4-6-10(8)11-20-13(23-21-11)19-9(2)12(22)18-7-14(15,16)17/h3-6,9H,7H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 344.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 167869821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).