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

C20H27N5OS — CID 58430778

IUPACN-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H27N5OS/c1-15(26)21-17-7-5-6-16(14-17)19-22-23-20(27-19)25-12-8-18(9-13-25)24-10-3-2-4-11-24/h5-7,14,18H,2-4,8-13H2,1H3,(H,21,26)
InChIKeyUBJXBDQGSWUCNT-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.62
Rot. Bonds4

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

N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide (PubChem CID 58430778) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
PubChem CID58430778
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1
InChIInChI=1S/C20H27N5OS/c1-15(26)21-17-7-5-6-16(14-17)19-22-23-20(27-19)25-12-8-18(9-13-25)24-10-3-2-4-11-24/h5-7,14,18H,2-4,8-13H2,1H3,(H,21,26)
InChIKeyUBJXBDQGSWUCNT-UHFFFAOYSA-N
XLogP3.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide (CID 58430778) is N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1.
What is the InChIKey of N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
The InChIKey is UBJXBDQGSWUCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-15(26)21-17-7-5-6-16(14-17)19-22-23-20(27-19)25-12-8-18(9-13-25)24-10-3-2-4-11-24/h5-7,14,18H,2-4,8-13H2,1H3,(H,21,26).
What are the key properties of N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide?
N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide has a molecular weight of 385.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 58430778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).