N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide

C11H15F3N4OS — CID 86799553

IUPACN-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H15F3N4OS/c1-2-8(19)15-7-4-3-5-18(6-7)10-17-16-9(20-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,19)
InChIKeyYOICVRMWQRNPHS-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.05
Rot. Bonds3

About N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide

N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide (PubChem CID 86799553) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide
PubChem CID86799553
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC NameN-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide
SMILESCCC(=O)NC1CCCN(c2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H15F3N4OS/c1-2-8(19)15-7-4-3-5-18(6-7)10-17-16-9(20-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,19)
InChIKeyYOICVRMWQRNPHS-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide (CID 86799553) is N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide is CCC(=O)NC1CCCN(c2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide?
The InChIKey is YOICVRMWQRNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-2-8(19)15-7-4-3-5-18(6-7)10-17-16-9(20-10)11(12,13)14/h7H,2-6H2,1H3,(H,15,19).
What are the key properties of N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide?
N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide has a molecular weight of 308.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 86799553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).