piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone

C12H17N5O2S — CID 65216605

IUPACpiperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1csnn1)N1CCNCC1
InChIInChI=1S/C12H17N5O2S/c18-11(9-8-20-15-14-9)17-5-1-2-10(17)12(19)16-6-3-13-4-7-16/h8,10,13H,1-7H2
InChIKeySGXVYTBPZJMWBH-UHFFFAOYSA-N
MW295.37 g/mol
LogP-0.43
Rot. Bonds2

About piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone

piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 65216605) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID65216605
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Namepiperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C(C1CCCN1C(=O)c1csnn1)N1CCNCC1
InChIInChI=1S/C12H17N5O2S/c18-11(9-8-20-15-14-9)17-5-1-2-10(17)12(19)16-6-3-13-4-7-16/h8,10,13H,1-7H2
InChIKeySGXVYTBPZJMWBH-UHFFFAOYSA-N
XLogP-0.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177812
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175131
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 80676172
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2-cyclopentyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 61175911
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 119402982
benzyl (2R)-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 93481134

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone (CID 65216605) is piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone is O=C(C1CCCN1C(=O)c1csnn1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is SGXVYTBPZJMWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c18-11(9-8-20-15-14-9)17-5-1-2-10(17)12(19)16-6-3-13-4-7-16/h8,10,13H,1-7H2.
What are the key properties of piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone?
piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 295.37 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 65216605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).