1-cyclopentyl-3-(thiadiazol-5-yl)urea

C8H12N4OS — CID 23044826

IUPAC1-cyclopentyl-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1cnns1)NC1CCCC1
InChIInChI=1S/C8H12N4OS/c13-8(10-6-3-1-2-4-6)11-7-5-9-12-14-7/h5-6H,1-4H2,(H2,10,11,13)
InChIKeyFODIVVURWOHVFR-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.60
Rot. Bonds2

About 1-cyclopentyl-3-(thiadiazol-5-yl)urea

1-cyclopentyl-3-(thiadiazol-5-yl)urea (PubChem CID 23044826) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-cyclopentyl-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(thiadiazol-5-yl)urea
PubChem CID23044826
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-cyclopentyl-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1cnns1)NC1CCCC1
InChIInChI=1S/C8H12N4OS/c13-8(10-6-3-1-2-4-6)11-7-5-9-12-14-7/h5-6H,1-4H2,(H2,10,11,13)
InChIKeyFODIVVURWOHVFR-UHFFFAOYSA-N
XLogP1.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(thiadiazol-5-yl)urea (CID 23044826) is 1-cyclopentyl-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(thiadiazol-5-yl)urea is O=C(Nc1cnns1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(thiadiazol-5-yl)urea?
The InChIKey is FODIVVURWOHVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c13-8(10-6-3-1-2-4-6)11-7-5-9-12-14-7/h5-6H,1-4H2,(H2,10,11,13).
What are the key properties of 1-cyclopentyl-3-(thiadiazol-5-yl)urea?
1-cyclopentyl-3-(thiadiazol-5-yl)urea has a molecular weight of 212.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 23044826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).