1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea

C11H16N6OS — CID 110401716

IUPAC1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea
SMILESO=C(NCc1nn2cnnc2s1)NC1CCCCC1
InChIInChI=1S/C11H16N6OS/c18-10(14-8-4-2-1-3-5-8)12-6-9-16-17-7-13-15-11(17)19-9/h7-8H,1-6H2,(H2,12,14,18)
InChIKeyLZAWDBOOXPVXNE-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.32
Rot. Bonds3

About 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea

1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea (PubChem CID 110401716) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea
PubChem CID110401716
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea
SMILESO=C(NCc1nn2cnnc2s1)NC1CCCCC1
InChIInChI=1S/C11H16N6OS/c18-10(14-8-4-2-1-3-5-8)12-6-9-16-17-7-13-15-11(17)19-9/h7-8H,1-6H2,(H2,12,14,18)
InChIKeyLZAWDBOOXPVXNE-UHFFFAOYSA-N
XLogP1.32
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-3-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110401080
N-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384580
N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)oxolane-2-carboxamide
CID 110401668
2-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)propan-2-amine
CID 114352229
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
2-[4-[(cycloheptylcarbamoylamino)methyl]triazol-1-yl]acetic acid
CID 115458494
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
2,6-dimethoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzamide
CID 110401691
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea (CID 110401716) is 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea is O=C(NCc1nn2cnnc2s1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea?
The InChIKey is LZAWDBOOXPVXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c18-10(14-8-4-2-1-3-5-8)12-6-9-16-17-7-13-15-11(17)19-9/h7-8H,1-6H2,(H2,12,14,18).
What are the key properties of 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea?
1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea has a molecular weight of 280.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)urea is sourced from PubChem (CID 110401716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).