3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one

C8H10N2OS — CID 105107815

IUPAC3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one
SMILESO=C(CCC1CC1)c1cnns1
InChIInChI=1S/C8H10N2OS/c11-7(4-3-6-1-2-6)8-5-9-10-12-8/h5-6H,1-4H2
InChIKeyRBRFFCPITHAGRU-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.91
Rot. Bonds4

About 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one

3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one (PubChem CID 105107815) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one
PubChem CID105107815
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one
SMILESO=C(CCC1CC1)c1cnns1
InChIInChI=1S/C8H10N2OS/c11-7(4-3-6-1-2-6)8-5-9-10-12-8/h5-6H,1-4H2
InChIKeyRBRFFCPITHAGRU-UHFFFAOYSA-N
XLogP1.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one (CID 105107815) is 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one is O=C(CCC1CC1)c1cnns1.
What is the InChIKey of 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one?
The InChIKey is RBRFFCPITHAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c11-7(4-3-6-1-2-6)8-5-9-10-12-8/h5-6H,1-4H2.
What are the key properties of 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one?
3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one has a molecular weight of 182.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(thiadiazol-5-yl)propan-1-one is sourced from PubChem (CID 105107815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).