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

C9H13F3N4OS — CID 114167514

IUPACN,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-8(2,6(17)13-3)4-14-7-15-5(16-18-7)9(10,11)12/h4H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyJZNZBGUANIBDSS-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.74
Rot. Bonds4

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

N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 114167514) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID114167514
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-8(2,6(17)13-3)4-14-7-15-5(16-18-7)9(10,11)12/h4H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyJZNZBGUANIBDSS-UHFFFAOYSA-N
XLogP1.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 114167514) is N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CNC(=O)C(C)(C)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is JZNZBGUANIBDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-8(2,6(17)13-3)4-14-7-15-5(16-18-7)9(10,11)12/h4H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 282.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 114167514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).