(4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone

C8H12N4OS — CID 61037279

IUPAC(4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
SMILESCN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C8H12N4OS/c1-11-2-4-12(5-3-11)8(13)7-6-9-10-14-7/h6H,2-5H2,1H3
InChIKeyXRWDRCIKEVIWIG-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.07
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone

(4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone (PubChem CID 61037279) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
PubChem CID61037279
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone
SMILESCN1CCN(C(=O)c2cnns2)CC1
InChIInChI=1S/C8H12N4OS/c1-11-2-4-12(5-3-11)8(13)7-6-9-10-14-7/h6H,2-5H2,1H3
InChIKeyXRWDRCIKEVIWIG-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone (CID 61037279) is (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone is CN1CCN(C(=O)c2cnns2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is XRWDRCIKEVIWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-11-2-4-12(5-3-11)8(13)7-6-9-10-14-7/h6H,2-5H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone?
(4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 212.28 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 61037279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).