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

C9H16N4O2S — CID 75515228

IUPAC3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCOCC(Nc1nc(C(C)C)ns1)C(N)=O
InChIInChI=1S/C9H16N4O2S/c1-5(2)8-12-9(16-13-8)11-6(4-15-3)7(10)14/h5-6H,4H2,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeyGNFBIBNZQFGUJU-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.57
Rot. Bonds6

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

3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 75515228) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID75515228
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCOCC(Nc1nc(C(C)C)ns1)C(N)=O
InChIInChI=1S/C9H16N4O2S/c1-5(2)8-12-9(16-13-8)11-6(4-15-3)7(10)14/h5-6H,4H2,1-3H3,(H2,10,14)(H,11,12,13)
InChIKeyGNFBIBNZQFGUJU-UHFFFAOYSA-N
XLogP0.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 75515228) is 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is COCC(Nc1nc(C(C)C)ns1)C(N)=O.
What is the InChIKey of 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is GNFBIBNZQFGUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-5(2)8-12-9(16-13-8)11-6(4-15-3)7(10)14/h5-6H,4H2,1-3H3,(H2,10,14)(H,11,12,13).
What are the key properties of 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide?
3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 244.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 75515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).