[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane

C11H21N4PS — CID 71277802

IUPAC[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane
SMILESCc1nsc(N2C(C)C(C)N(P)C(C)C2C)n1
InChIInChI=1S/C11H21N4PS/c1-6-8(3)15(16)9(4)7(2)14(6)11-12-10(5)13-17-11/h6-9H,16H2,1-5H3
InChIKeyMROLRBFSCYASKX-UHFFFAOYSA-N
MW272.36 g/mol
LogP2.31
Rot. Bonds1

About [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane

[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane (PubChem CID 71277802) has the molecular formula C11H21N4PS and a molecular weight of 272.36 g/mol. Its IUPAC name is [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane.

Molecular Properties

Compound Name[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane
PubChem CID71277802
Molecular FormulaC11H21N4PS
Molecular Weight272.36 g/mol
Exact Mass272.12
IUPAC Name[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane
SMILESCc1nsc(N2C(C)C(C)N(P)C(C)C2C)n1
InChIInChI=1S/C11H21N4PS/c1-6-8(3)15(16)9(4)7(2)14(6)11-12-10(5)13-17-11/h6-9H,16H2,1-5H3
InChIKeyMROLRBFSCYASKX-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane?
The IUPAC name of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane (CID 71277802) is [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane.
What is the SMILES notation for [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane?
The canonical SMILES for [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane is Cc1nsc(N2C(C)C(C)N(P)C(C)C2C)n1.
What is the InChIKey of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane?
The InChIKey is MROLRBFSCYASKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N4PS/c1-6-8(3)15(16)9(4)7(2)14(6)11-12-10(5)13-17-11/h6-9H,16H2,1-5H3.
What are the key properties of [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane?
[2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane has a molecular weight of 272.36 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phosphane is sourced from PubChem (CID 71277802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).