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

C15H16F2N4OS — CID 39891630

IUPAC1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1nnc(C2CCCCC2)s1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H16F2N4OS/c16-10-6-7-12(11(17)8-10)18-14(22)19-15-21-20-13(23-15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,19,21,22)
InChIKeyUEHUDRSTHBVJGB-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.51
Rot. Bonds3

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

1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea (PubChem CID 39891630) has the molecular formula C15H16F2N4OS and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
PubChem CID39891630
Molecular FormulaC15H16F2N4OS
Molecular Weight338.38 g/mol
Exact Mass338.10
IUPAC Name1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1nnc(C2CCCCC2)s1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H16F2N4OS/c16-10-6-7-12(11(17)8-10)18-14(22)19-15-21-20-13(23-15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,19,21,22)
InChIKeyUEHUDRSTHBVJGB-UHFFFAOYSA-N
XLogP4.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
(Z)-2-cyano-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 170918554
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,2,2-trifluoroacetamide
CID 5190441
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152774
cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
CID 9265335

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea (CID 39891630) is 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea is O=C(Nc1nnc(C2CCCCC2)s1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea?
The InChIKey is UEHUDRSTHBVJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4OS/c16-10-6-7-12(11(17)8-10)18-14(22)19-15-21-20-13(23-15)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,18,19,21,22).
What are the key properties of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea?
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea has a molecular weight of 338.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 39891630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).