5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole

C13H16N4S — CID 59511231

IUPAC5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole
SMILESC[C@@H]1CN(c2snnc2-c2ccccc2)CCN1
InChIInChI=1S/C13H16N4S/c1-10-9-17(8-7-14-10)13-12(15-16-18-13)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3/t10-/m1/s1
InChIKeyODQUKOLUKIAQGW-SNVBAGLBSA-N
MW260.37 g/mol
LogP2.00
Rot. Bonds2

About 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole

5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole (PubChem CID 59511231) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole.

Molecular Properties

Compound Name5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole
PubChem CID59511231
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole
SMILESC[C@@H]1CN(c2snnc2-c2ccccc2)CCN1
InChIInChI=1S/C13H16N4S/c1-10-9-17(8-7-14-10)13-12(15-16-18-13)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3/t10-/m1/s1
InChIKeyODQUKOLUKIAQGW-SNVBAGLBSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole?
The IUPAC name of 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole (CID 59511231) is 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole.
What is the SMILES notation for 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole?
The canonical SMILES for 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole is C[C@@H]1CN(c2snnc2-c2ccccc2)CCN1.
What is the InChIKey of 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole?
The InChIKey is ODQUKOLUKIAQGW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4S/c1-10-9-17(8-7-14-10)13-12(15-16-18-13)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3/t10-/m1/s1.
What are the key properties of 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole?
5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole has a molecular weight of 260.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-methylpiperazin-1-yl]-4-phenylthiadiazole is sourced from PubChem (CID 59511231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).