3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole

C10H13F2N3S — CID 121184656

IUPAC3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C10H13F2N3S/c11-10(12)3-5-15(6-4-10)9-13-8(14-16-9)7-1-2-7/h7H,1-6H2
InChIKeyCIVZODSESRSNJD-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.65
Rot. Bonds2

About 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 121184656) has the molecular formula C10H13F2N3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID121184656
Molecular FormulaC10H13F2N3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole
SMILESFC1(F)CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C10H13F2N3S/c11-10(12)3-5-15(6-4-10)9-13-8(14-16-9)7-1-2-7/h7H,1-6H2
InChIKeyCIVZODSESRSNJD-UHFFFAOYSA-N
XLogP2.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole (CID 121184656) is 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole is FC1(F)CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is CIVZODSESRSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3S/c11-10(12)3-5-15(6-4-10)9-13-8(14-16-9)7-1-2-7/h7H,1-6H2.
What are the key properties of 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 245.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4,4-difluoropiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 121184656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).