N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide

C14H23N5OS — CID 58430456

IUPACN-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c1-11(20)15-13-16-17-14(21-13)19-9-5-12(6-10-19)18-7-3-2-4-8-18/h12H,2-10H2,1H3,(H,15,16,20)
InChIKeyUSNQRWBIPYGXOH-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.95
Rot. Bonds3

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

N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 58430456) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID58430456
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c1-11(20)15-13-16-17-14(21-13)19-9-5-12(6-10-19)18-7-3-2-4-8-18/h12H,2-10H2,1H3,(H,15,16,20)
InChIKeyUSNQRWBIPYGXOH-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 58430456) is N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is USNQRWBIPYGXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-11(20)15-13-16-17-14(21-13)19-9-5-12(6-10-19)18-7-3-2-4-8-18/h12H,2-10H2,1H3,(H,15,16,20).
What are the key properties of N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 58430456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).