(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C11H19N5OS — CID 80616567

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C11H19N5OS/c1-8(2)7-15-3-5-16(6-4-15)10(17)9-13-14-11(12)18-9/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFEMDKPLENUGZOT-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.53
Rot. Bonds3

About (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 80616567) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID80616567
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C11H19N5OS/c1-8(2)7-15-3-5-16(6-4-15)10(17)9-13-14-11(12)18-9/h8H,3-7H2,1-2H3,(H2,12,14)
InChIKeyFEMDKPLENUGZOT-UHFFFAOYSA-N
XLogP0.53
TPSA75.35 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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 80616567) is (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2nnc(N)s2)CC1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is FEMDKPLENUGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8(2)7-15-3-5-16(6-4-15)10(17)9-13-14-11(12)18-9/h8H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 269.37 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 80616567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).