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

C7H12N4O3S — CID 118947671

IUPAC1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1cnns1)N(CCO)CCO
InChIInChI=1S/C7H12N4O3S/c12-3-1-11(2-4-13)7(14)9-6-5-8-10-15-6/h5,12-13H,1-4H2,(H,9,14)
InChIKeyLBSZTEXZKMDJPD-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.64
Rot. Bonds5

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

1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947671) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947671
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea
SMILESO=C(Nc1cnns1)N(CCO)CCO
InChIInChI=1S/C7H12N4O3S/c12-3-1-11(2-4-13)7(14)9-6-5-8-10-15-6/h5,12-13H,1-4H2,(H,9,14)
InChIKeyLBSZTEXZKMDJPD-UHFFFAOYSA-N
XLogP-0.64
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea (CID 118947671) is 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea is O=C(Nc1cnns1)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is LBSZTEXZKMDJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c12-3-1-11(2-4-13)7(14)9-6-5-8-10-15-6/h5,12-13H,1-4H2,(H,9,14).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea?
1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 232.26 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).