N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide

C18H19N5O2S — CID 2817090

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C18H19N5O2S/c24-16(19-18-21-20-17(26-18)15-7-4-12-25-15)13-22-8-10-23(11-9-22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,21,24)
InChIKeyXEGNHVIRXLJABY-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.56
Rot. Bonds5

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 2817090) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID2817090
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C18H19N5O2S/c24-16(19-18-21-20-17(26-18)15-7-4-12-25-15)13-22-8-10-23(11-9-22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,21,24)
InChIKeyXEGNHVIRXLJABY-UHFFFAOYSA-N
XLogP2.56
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 2817090) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is XEGNHVIRXLJABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-16(19-18-21-20-17(26-18)15-7-4-12-25-15)13-22-8-10-23(11-9-22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,21,24).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2817090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).