4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one

C10H14N4OS2 — CID 55044867

IUPAC4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one
SMILESCCCNc1snnc1Cn1c(C)csc1=O
InChIInChI=1S/C10H14N4OS2/c1-3-4-11-9-8(12-13-17-9)5-14-7(2)6-16-10(14)15/h6,11H,3-5H2,1-2H3
InChIKeyHEFZPNJMZLODGI-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.94
Rot. Bonds5

About 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one

4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one (PubChem CID 55044867) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one
PubChem CID55044867
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one
SMILESCCCNc1snnc1Cn1c(C)csc1=O
InChIInChI=1S/C10H14N4OS2/c1-3-4-11-9-8(12-13-17-9)5-14-7(2)6-16-10(14)15/h6,11H,3-5H2,1-2H3
InChIKeyHEFZPNJMZLODGI-UHFFFAOYSA-N
XLogP1.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one (CID 55044867) is 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one is CCCNc1snnc1Cn1c(C)csc1=O.
What is the InChIKey of 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one?
The InChIKey is HEFZPNJMZLODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-3-4-11-9-8(12-13-17-9)5-14-7(2)6-16-10(14)15/h6,11H,3-5H2,1-2H3.
What are the key properties of 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one?
4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one has a molecular weight of 270.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]-1,3-thiazol-2-one is sourced from PubChem (CID 55044867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).