1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea

C9H14N4O2S — CID 47196431

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H14N4O2S/c1-5(4-14)10-8(15)11-9-13-12-7(16-9)6-2-3-6/h5-6,14H,2-4H2,1H3,(H2,10,11,13,15)
InChIKeyAXRGGUYTMCRLQT-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.92
Rot. Bonds4

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 47196431) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID47196431
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C9H14N4O2S/c1-5(4-14)10-8(15)11-9-13-12-7(16-9)6-2-3-6/h5-6,14H,2-4H2,1H3,(H2,10,11,13,15)
InChIKeyAXRGGUYTMCRLQT-UHFFFAOYSA-N
XLogP0.92
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea (CID 47196431) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is AXRGGUYTMCRLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-5(4-14)10-8(15)11-9-13-12-7(16-9)6-2-3-6/h5-6,14H,2-4H2,1H3,(H2,10,11,13,15).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 242.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 47196431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).