1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea

C11H18N4O2S — CID 110932980

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
SMILESCCc1nnc(NC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C11H18N4O2S/c1-2-9-14-15-11(18-9)13-10(17)12-7-5-3-4-6-8(7)16/h7-8,16H,2-6H2,1H3,(H2,12,13,15,17)
InChIKeyFRDSNHWBCGXXKY-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.53
Rot. Bonds3

About 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 110932980) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
PubChem CID110932980
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea
SMILESCCc1nnc(NC(=O)NC2CCCCC2O)s1
InChIInChI=1S/C11H18N4O2S/c1-2-9-14-15-11(18-9)13-10(17)12-7-5-3-4-6-8(7)16/h7-8,16H,2-6H2,1H3,(H2,12,13,15,17)
InChIKeyFRDSNHWBCGXXKY-UHFFFAOYSA-N
XLogP1.53
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea (CID 110932980) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea is CCc1nnc(NC(=O)NC2CCCCC2O)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is FRDSNHWBCGXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-9-14-15-11(18-9)13-10(17)12-7-5-3-4-6-8(7)16/h7-8,16H,2-6H2,1H3,(H2,12,13,15,17).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 270.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110932980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).