(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone

C11H19N5OS — CID 80617321

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCN1CCN(C(=O)c2nnc(NC)s2)CC1C
InChIInChI=1S/C11H19N5OS/c1-4-15-5-6-16(7-8(15)2)10(17)9-13-14-11(12-3)18-9/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyYVPYDJPEPYKAFU-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.75
Rot. Bonds3

About (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone

(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80617321) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80617321
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCN1CCN(C(=O)c2nnc(NC)s2)CC1C
InChIInChI=1S/C11H19N5OS/c1-4-15-5-6-16(7-8(15)2)10(17)9-13-14-11(12-3)18-9/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyYVPYDJPEPYKAFU-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 80617321) is (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone is CCN1CCN(C(=O)c2nnc(NC)s2)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is YVPYDJPEPYKAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-4-15-5-6-16(7-8(15)2)10(17)9-13-14-11(12-3)18-9/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone?
(4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80617321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).