1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea

C11H10F2N4OS2 — CID 3765924

IUPAC1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N4OS2/c1-2-19-11-16-10(20-17-11)15-9(18)14-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyKEKOKLAURFTAEA-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.57
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea

1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 3765924) has the molecular formula C11H10F2N4OS2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID3765924
Molecular FormulaC11H10F2N4OS2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H10F2N4OS2/c1-2-19-11-16-10(20-17-11)15-9(18)14-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H2,14,15,16,17,18)
InChIKeyKEKOKLAURFTAEA-UHFFFAOYSA-N
XLogP3.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 4990240
N-(2-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 4225961
N-(2,4-difluorophenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
CID 5300482
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(3-fluoro-phenyl)-urea
CID 3765921
1-(4-Iodophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155521343
1-(4-Iodophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155523616
1-(4-Bromophenyl)-3-(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155535018
1-(4-Bromophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 155551374
N-(4-fluorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetamide
CID 1855756
1-(3-Ethylsulfanyl-[1,2,4]thiadiazol-5-yl)-3-(2-fluoro-phenyl)-urea
CID 3765920
N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-N'-phenylurea
CID 1235107
1-(2,4-Difluoro-phenyl)-3-(3-propylsulfanyl-[1,2,4]thiadiazol-5-yl)-urea
CID 3782660

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea (CID 3765924) is 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea is CCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is KEKOKLAURFTAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4OS2/c1-2-19-11-16-10(20-17-11)15-9(18)14-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea?
1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 316.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 3765924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).