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

C7H10F2N4OS2 — CID 71968790

IUPAC1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCSc1nsc(NC(=O)N(C)CC(F)F)n1
InChIInChI=1S/C7H10F2N4OS2/c1-13(3-4(8)9)7(14)11-5-10-6(15-2)12-16-5/h4H,3H2,1-2H3,(H,10,11,12,14)
InChIKeyUFSPLSIVCRHIFL-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.99
Rot. Bonds4

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

1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 71968790) has the molecular formula C7H10F2N4OS2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID71968790
Molecular FormulaC7H10F2N4OS2
Molecular Weight268.31 g/mol
Exact Mass268.03
IUPAC Name1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCSc1nsc(NC(=O)N(C)CC(F)F)n1
InChIInChI=1S/C7H10F2N4OS2/c1-13(3-4(8)9)7(14)11-5-10-6(15-2)12-16-5/h4H,3H2,1-2H3,(H,10,11,12,14)
InChIKeyUFSPLSIVCRHIFL-UHFFFAOYSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea (CID 71968790) is 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is CSc1nsc(NC(=O)N(C)CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is UFSPLSIVCRHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4OS2/c1-13(3-4(8)9)7(14)11-5-10-6(15-2)12-16-5/h4H,3H2,1-2H3,(H,10,11,12,14).
What are the key properties of 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 268.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-1-methyl-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 71968790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).