4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole

C11H20N4S — CID 75506914

IUPAC4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole
SMILESCC(C)C1CN(C)CCN1Cc1csnn1
InChIInChI=1S/C11H20N4S/c1-9(2)11-7-14(3)4-5-15(11)6-10-8-16-13-12-10/h8-9,11H,4-7H2,1-3H3
InChIKeyQDYOXUOPOAANGF-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.31
Rot. Bonds3

About 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole

4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole (PubChem CID 75506914) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole
PubChem CID75506914
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole
SMILESCC(C)C1CN(C)CCN1Cc1csnn1
InChIInChI=1S/C11H20N4S/c1-9(2)11-7-14(3)4-5-15(11)6-10-8-16-13-12-10/h8-9,11H,4-7H2,1-3H3
InChIKeyQDYOXUOPOAANGF-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole?
The IUPAC name of 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole (CID 75506914) is 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole?
The canonical SMILES for 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole is CC(C)C1CN(C)CCN1Cc1csnn1.
What is the InChIKey of 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole?
The InChIKey is QDYOXUOPOAANGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(2)11-7-14(3)4-5-15(11)6-10-8-16-13-12-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole?
4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole has a molecular weight of 240.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-propan-2-ylpiperazin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 75506914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).