3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one

C10H14N4O2S — CID 63606888

IUPAC3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCc1nnsc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H14N4O2S/c1-6-7(17-13-12-6)8(15)14-5-4-11-9(16)10(14,2)3/h4-5H2,1-3H3,(H,11,16)
InChIKeyPFNAPGGXDDREMV-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.20
Rot. Bonds1

About 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one

3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one (PubChem CID 63606888) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
PubChem CID63606888
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
SMILESCc1nnsc1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C10H14N4O2S/c1-6-7(17-13-12-6)8(15)14-5-4-11-9(16)10(14,2)3/h4-5H2,1-3H3,(H,11,16)
InChIKeyPFNAPGGXDDREMV-UHFFFAOYSA-N
XLogP0.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one
CID 63607427
(4-hydroxy-4-methylazepan-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 107406650
3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one
CID 63606364
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
3,3-dimethyl-4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperazin-2-one
CID 63608094
3,3-dimethyl-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 63362257
2-ethyl-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 83074911
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
4-(3,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 55218363
(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65447853
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 55216513

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one (CID 63606888) is 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one is Cc1nnsc1C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
The InChIKey is PFNAPGGXDDREMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-7(17-13-12-6)8(15)14-5-4-11-9(16)10(14,2)3/h4-5H2,1-3H3,(H,11,16).
What are the key properties of 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one has a molecular weight of 254.31 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylthiadiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 63606888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).