1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

C11H18N6O2S — CID 47215236

IUPAC1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(=O)N1CCN(CCNC(=O)Nc2nncs2)CC1
InChIInChI=1S/C11H18N6O2S/c1-9(18)17-6-4-16(5-7-17)3-2-12-10(19)14-11-15-13-8-20-11/h8H,2-7H2,1H3,(H2,12,14,15,19)
InChIKeyZCCBIUFBTQGCFM-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.18
Rot. Bonds4

About 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 47215236) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID47215236
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCC(=O)N1CCN(CCNC(=O)Nc2nncs2)CC1
InChIInChI=1S/C11H18N6O2S/c1-9(18)17-6-4-16(5-7-17)3-2-12-10(19)14-11-15-13-8-20-11/h8H,2-7H2,1H3,(H2,12,14,15,19)
InChIKeyZCCBIUFBTQGCFM-UHFFFAOYSA-N
XLogP-0.18
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 47215236) is 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea is CC(=O)N1CCN(CCNC(=O)Nc2nncs2)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ZCCBIUFBTQGCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-9(18)17-6-4-16(5-7-17)3-2-12-10(19)14-11-15-13-8-20-11/h8H,2-7H2,1H3,(H2,12,14,15,19).
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 298.37 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47215236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).