2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol

C13H21N3OS — CID 126814625

IUPAC2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCCc1nsc(N2CCCC2C2CCCC2O)n1
InChIInChI=1S/C13H21N3OS/c1-2-12-14-13(18-15-12)16-8-4-6-10(16)9-5-3-7-11(9)17/h9-11,17H,2-8H2,1H3
InChIKeyPELVMQXNWOHJHP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.23
Rot. Bonds3

About 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 126814625) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID126814625
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCCc1nsc(N2CCCC2C2CCCC2O)n1
InChIInChI=1S/C13H21N3OS/c1-2-12-14-13(18-15-12)16-8-4-6-10(16)9-5-3-7-11(9)17/h9-11,17H,2-8H2,1H3
InChIKeyPELVMQXNWOHJHP-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 126814625) is 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol is CCc1nsc(N2CCCC2C2CCCC2O)n1.
What is the InChIKey of 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is PELVMQXNWOHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-12-14-13(18-15-12)16-8-4-6-10(16)9-5-3-7-11(9)17/h9-11,17H,2-8H2,1H3.
What are the key properties of 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 267.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 126814625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).