1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea

C5H8N4O2S — CID 118947576

IUPAC1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(NCCO)Nc1cnns1
InChIInChI=1S/C5H8N4O2S/c10-2-1-6-5(11)8-4-3-7-9-12-4/h3,10H,1-2H2,(H2,6,8,11)
InChIKeyMBWJOMVZNJRBQG-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.35
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea

1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947576) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947576
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(NCCO)Nc1cnns1
InChIInChI=1S/C5H8N4O2S/c10-2-1-6-5(11)8-4-3-7-9-12-4/h3,10H,1-2H2,(H2,6,8,11)
InChIKeyMBWJOMVZNJRBQG-UHFFFAOYSA-N
XLogP-0.35
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea (CID 118947576) is 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea is O=C(NCCO)Nc1cnns1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is MBWJOMVZNJRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c10-2-1-6-5(11)8-4-3-7-9-12-4/h3,10H,1-2H2,(H2,6,8,11).
What are the key properties of 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 188.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).