(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one

C11H16N4OS — CID 99778221

IUPAC(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one
SMILESC[C@H]1C(=O)N(C)CCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H16N4OS/c1-7-10(16)14(2)5-6-15(7)11-12-9(13-17-11)8-3-4-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLFXNZWNPZNWXFD-ZETCQYMHSA-N
MW252.34 g/mol
LogP1.08
Rot. Bonds2

About (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one

(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one (PubChem CID 99778221) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one
PubChem CID99778221
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one
SMILESC[C@H]1C(=O)N(C)CCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H16N4OS/c1-7-10(16)14(2)5-6-15(7)11-12-9(13-17-11)8-3-4-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLFXNZWNPZNWXFD-ZETCQYMHSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 71925886
N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925922
N-cyclopropyl-N-(1-cyclopropylethyl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 71979073
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925915
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 95785303
1,3-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 166199475
2-ethyl-4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 46994824
2-[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 71861531
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one?
The IUPAC name of (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one (CID 99778221) is (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one?
The canonical SMILES for (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one is C[C@H]1C(=O)N(C)CCN1c1nc(C2CC2)ns1.
What is the InChIKey of (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one?
The InChIKey is LFXNZWNPZNWXFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-10(16)14(2)5-6-15(7)11-12-9(13-17-11)8-3-4-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one?
(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 99778221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).