thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

C10H12F3N3OS — CID 126817228

IUPACthiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnns1)N1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-7-1-3-16(4-2-7)9(17)8-6-14-15-18-8/h6-7H,1-5H2
InChIKeyZRKRMOMVQKFQPW-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.34
Rot. Bonds2

About thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone

thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (PubChem CID 126817228) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namethiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
PubChem CID126817228
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Namethiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnns1)N1CCC(CC(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-7-1-3-16(4-2-7)9(17)8-6-14-15-18-8/h6-7H,1-5H2
InChIKeyZRKRMOMVQKFQPW-UHFFFAOYSA-N
XLogP2.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The IUPAC name of thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone (CID 126817228) is thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone.
What is the SMILES notation for thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The canonical SMILES for thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is O=C(c1cnns1)N1CCC(CC(F)(F)F)CC1.
What is the InChIKey of thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
The InChIKey is ZRKRMOMVQKFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)5-7-1-3-16(4-2-7)9(17)8-6-14-15-18-8/h6-7H,1-5H2.
What are the key properties of thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone?
thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone has a molecular weight of 279.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiadiazol-5-yl-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126817228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).