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

C6H7F3N4O2S — CID 106170493

IUPAC2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESNC(=O)C(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N4O2S/c7-6(8,9)4-12-5(16-13-4)11-1-2(14)3(10)15/h2,14H,1H2,(H2,10,15)(H,11,12,13)
InChIKeyAYUXIRNHQCPZKT-UHFFFAOYSA-N
MW256.21 g/mol
LogP-0.19
Rot. Bonds4

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

2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 106170493) has the molecular formula C6H7F3N4O2S and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
PubChem CID106170493
Molecular FormulaC6H7F3N4O2S
Molecular Weight256.21 g/mol
Exact Mass256.02
IUPAC Name2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
SMILESNC(=O)C(O)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H7F3N4O2S/c7-6(8,9)4-12-5(16-13-4)11-1-2(14)3(10)15/h2,14H,1H2,(H2,10,15)(H,11,12,13)
InChIKeyAYUXIRNHQCPZKT-UHFFFAOYSA-N
XLogP-0.19
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 106170493) is 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is NC(=O)C(O)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
The InChIKey is AYUXIRNHQCPZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2S/c7-6(8,9)4-12-5(16-13-4)11-1-2(14)3(10)15/h2,14H,1H2,(H2,10,15)(H,11,12,13).
What are the key properties of 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide?
2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 256.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 106170493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).