1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea

C6H10N4O2S — CID 47191552

IUPAC1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(CO)NC(=O)Nc1nncs1
InChIInChI=1S/C6H10N4O2S/c1-4(2-11)8-5(12)9-6-10-7-3-13-6/h3-4,11H,2H2,1H3,(H2,8,9,10,12)
InChIKeyITPAEQPUABTWJS-UHFFFAOYSA-N
MW202.24 g/mol
LogP0.04
Rot. Bonds3

About 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 47191552) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID47191552
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(CO)NC(=O)Nc1nncs1
InChIInChI=1S/C6H10N4O2S/c1-4(2-11)8-5(12)9-6-10-7-3-13-6/h3-4,11H,2H2,1H3,(H2,8,9,10,12)
InChIKeyITPAEQPUABTWJS-UHFFFAOYSA-N
XLogP0.04
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 47191552) is 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea is CC(CO)NC(=O)Nc1nncs1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ITPAEQPUABTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-4(2-11)8-5(12)9-6-10-7-3-13-6/h3-4,11H,2H2,1H3,(H2,8,9,10,12).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 202.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47191552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).