(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H14N4OS — CID 65447853

IUPAC(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C9H14N4OS/c1-6-5-13(4-3-10-6)9(14)8-7(2)11-12-15-8/h6,10H,3-5H2,1-2H3
InChIKeyAJIBUDMSRFIBSK-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.28
Rot. Bonds1

About (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 65447853) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID65447853
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCNC(C)C1
InChIInChI=1S/C9H14N4OS/c1-6-5-13(4-3-10-6)9(14)8-7(2)11-12-15-8/h6,10H,3-5H2,1-2H3
InChIKeyAJIBUDMSRFIBSK-UHFFFAOYSA-N
XLogP0.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
3-methyl-1-(4-methylthiadiazole-5-carbonyl)piperidin-4-one
CID 114499698
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 65447853) is (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCNC(C)C1.
What is the InChIKey of (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is AJIBUDMSRFIBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-5-13(4-3-10-6)9(14)8-7(2)11-12-15-8/h6,10H,3-5H2,1-2H3.
What are the key properties of (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 65447853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).