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

C9H13F3N4OS — CID 107305103

IUPACN-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(C)NC(=O)C(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-4(2)13-6(17)5(3)14-8-15-7(16-18-8)9(10,11)12/h4-5H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyKMQNUAPXEZKFRE-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.88
Rot. Bonds4

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

N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 107305103) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID107305103
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC NameN-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESCC(C)NC(=O)C(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H13F3N4OS/c1-4(2)13-6(17)5(3)14-8-15-7(16-18-8)9(10,11)12/h4-5H,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyKMQNUAPXEZKFRE-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 107305103) is N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is CC(C)NC(=O)C(C)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is KMQNUAPXEZKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-4(2)13-6(17)5(3)14-8-15-7(16-18-8)9(10,11)12/h4-5H,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 282.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 107305103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).