2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

C14H17N5OS2 — CID 653139

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESNc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H17N5OS2/c15-13-16-17-14(22-13)21-10-12(20)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16)
InChIKeyKYCHDLLWCOJCOC-UHFFFAOYSA-N
MW335.46 g/mol
LogP1.56
Rot. Bonds4

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 653139) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID653139
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESNc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H17N5OS2/c15-13-16-17-14(22-13)21-10-12(20)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16)
InChIKeyKYCHDLLWCOJCOC-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 653139) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is Nc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is KYCHDLLWCOJCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c15-13-16-17-14(22-13)21-10-12(20)19-8-6-18(7-9-19)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 335.46 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 653139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).