piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone

C14H23N5OS — CID 65276144

IUPACpiperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone
SMILESCC(C)c1nsc(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C14H23N5OS/c1-10(2)12-16-14(21-17-12)19-7-3-4-11(19)13(20)18-8-5-15-6-9-18/h10-11,15H,3-9H2,1-2H3
InChIKeyCQIOQRHQIJCMFM-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.06
Rot. Bonds3

About piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone

piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone (PubChem CID 65276144) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone
PubChem CID65276144
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Namepiperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone
SMILESCC(C)c1nsc(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C14H23N5OS/c1-10(2)12-16-14(21-17-12)19-7-3-4-11(19)13(20)18-8-5-15-6-9-18/h10-11,15H,3-9H2,1-2H3
InChIKeyCQIOQRHQIJCMFM-UHFFFAOYSA-N
XLogP1.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone (CID 65276144) is piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone is CC(C)c1nsc(N2CCCC2C(=O)N2CCNCC2)n1.
What is the InChIKey of piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone?
The InChIKey is CQIOQRHQIJCMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10(2)12-16-14(21-17-12)19-7-3-4-11(19)13(20)18-8-5-15-6-9-18/h10-11,15H,3-9H2,1-2H3.
What are the key properties of piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone?
piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone has a molecular weight of 309.44 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 65276144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).