(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone

C12H20N4OS — CID 65461323

IUPAC(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C12H20N4OS/c1-4-5-9-10(18-15-14-9)11(17)16-7-6-13-8-12(16,2)3/h13H,4-8H2,1-3H3
InChIKeyZNIJQFVGDXRIEH-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.31
Rot. Bonds3

About (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone

(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 65461323) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID65461323
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C12H20N4OS/c1-4-5-9-10(18-15-14-9)11(17)16-7-6-13-8-12(16,2)3/h13H,4-8H2,1-3H3
InChIKeyZNIJQFVGDXRIEH-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 65461323) is (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCNCC1(C)C.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is ZNIJQFVGDXRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-5-9-10(18-15-14-9)11(17)16-7-6-13-8-12(16,2)3/h13H,4-8H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 268.39 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65461323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).