[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C13H19N5O2S — CID 61177812

IUPAC[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1nnsc1C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H19N5O2S/c1-9-11(21-16-15-9)13(20)18-6-2-3-10(18)12(19)17-7-4-14-5-8-17/h10,14H,2-8H2,1H3
InChIKeyUFQRISTVBKGZLP-UHFFFAOYSA-N
MW309.40 g/mol
LogP-0.12
Rot. Bonds2

About [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61177812) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61177812
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1nnsc1C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C13H19N5O2S/c1-9-11(21-16-15-9)13(20)18-6-2-3-10(18)12(19)17-7-4-14-5-8-17/h10,14H,2-8H2,1H3
InChIKeyUFQRISTVBKGZLP-UHFFFAOYSA-N
XLogP-0.12
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175131
piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 65216605
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273018
(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65447853
[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
(4-methylthiadiazol-5-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256583
[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65168510
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 90952308
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61177812) is [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is Cc1nnsc1C(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is UFQRISTVBKGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-11(21-16-15-9)13(20)18-6-2-3-10(18)12(19)17-7-4-14-5-8-17/h10,14H,2-8H2,1H3.
What are the key properties of [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 309.40 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61177812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).