[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C14H21N5OS — CID 65276198

IUPAC[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1c1nc(C2CC2)ns1)N1CCNCC1
InChIInChI=1S/C14H21N5OS/c20-13(18-8-5-15-6-9-18)11-2-1-7-19(11)14-16-12(17-21-14)10-3-4-10/h10-11,15H,1-9H2
InChIKeyBARGVVYKJFHZAZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.82
Rot. Bonds3

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

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 65276198) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID65276198
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1c1nc(C2CC2)ns1)N1CCNCC1
InChIInChI=1S/C14H21N5OS/c20-13(18-8-5-15-6-9-18)11-2-1-7-19(11)14-16-12(17-21-14)10-3-4-10/h10-11,15H,1-9H2
InChIKeyBARGVVYKJFHZAZ-UHFFFAOYSA-N
XLogP0.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 65276198) is [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is O=C(C1CCCN1c1nc(C2CC2)ns1)N1CCNCC1.
What is the InChIKey of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is BARGVVYKJFHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c20-13(18-8-5-15-6-9-18)11-2-1-7-19(11)14-16-12(17-21-14)10-3-4-10/h10-11,15H,1-9H2.
What are the key properties of [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 307.42 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 65276198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).