1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea

C10H16N4O2S — CID 46991191

IUPAC1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea
SMILESCc1nsc(NC(=O)N(C)C2CCOCC2)n1
InChIInChI=1S/C10H16N4O2S/c1-7-11-9(17-13-7)12-10(15)14(2)8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,11,12,13,15)
InChIKeyWUFHFDRLWAHPKD-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.49
Rot. Bonds2

About 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea

1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea (PubChem CID 46991191) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea
PubChem CID46991191
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea
SMILESCc1nsc(NC(=O)N(C)C2CCOCC2)n1
InChIInChI=1S/C10H16N4O2S/c1-7-11-9(17-13-7)12-10(15)14(2)8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,11,12,13,15)
InChIKeyWUFHFDRLWAHPKD-UHFFFAOYSA-N
XLogP1.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea?
The IUPAC name of 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea (CID 46991191) is 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea?
The canonical SMILES for 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea is Cc1nsc(NC(=O)N(C)C2CCOCC2)n1.
What is the InChIKey of 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea?
The InChIKey is WUFHFDRLWAHPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7-11-9(17-13-7)12-10(15)14(2)8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,11,12,13,15).
What are the key properties of 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea?
1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea has a molecular weight of 256.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(oxan-4-yl)urea is sourced from PubChem (CID 46991191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).