1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one

C12H14N6O2S — CID 127850919

IUPAC1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
SMILESCc1nnc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)s1
InChIInChI=1S/C12H14N6O2S/c1-8-14-15-11(21-8)12(20)17-3-4-18(10(19)7-17)9-5-13-16(2)6-9/h5-6H,3-4,7H2,1-2H3
InChIKeyAPHPRJZJWICYOR-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.07
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one (PubChem CID 127850919) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
PubChem CID127850919
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
SMILESCc1nnc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)s1
InChIInChI=1S/C12H14N6O2S/c1-8-14-15-11(21-8)12(20)17-3-4-18(10(19)7-17)9-5-13-16(2)6-9/h5-6H,3-4,7H2,1-2H3
InChIKeyAPHPRJZJWICYOR-UHFFFAOYSA-N
XLogP0.07
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
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4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
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4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126766377
4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126789765
4-[(2S,4S)-2-methylpiperidine-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 120634332
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
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4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
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4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126791529
N-(2-ethylsulfonylethyl)-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432725
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide;hydroiodide
CID 109433356
N'-methyl-4-(1-methylpyrazol-4-yl)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-oxopiperazine-1-carboximidamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one (CID 127850919) is 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one is Cc1nnc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)s1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The InChIKey is APHPRJZJWICYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-8-14-15-11(21-8)12(20)17-3-4-18(10(19)7-17)9-5-13-16(2)6-9/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one has a molecular weight of 306.35 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 127850919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).