(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone

C8H11N3OS — CID 176892157

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
SMILESNc1nnc(C(=O)C2CCCC2)s1
InChIInChI=1S/C8H11N3OS/c9-8-11-10-7(13-8)6(12)5-3-1-2-4-5/h5H,1-4H2,(H2,9,11)
InChIKeyGCUSXNDWQHTFKI-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.49
Rot. Bonds2

About (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone

(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone (PubChem CID 176892157) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
PubChem CID176892157
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone
SMILESNc1nnc(C(=O)C2CCCC2)s1
InChIInChI=1S/C8H11N3OS/c9-8-11-10-7(13-8)6(12)5-3-1-2-4-5/h5H,1-4H2,(H2,9,11)
InChIKeyGCUSXNDWQHTFKI-UHFFFAOYSA-N
XLogP1.49
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone (CID 176892157) is (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone is Nc1nnc(C(=O)C2CCCC2)s1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
The InChIKey is GCUSXNDWQHTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-8-11-10-7(13-8)6(12)5-3-1-2-4-5/h5H,1-4H2,(H2,9,11).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone?
(5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone has a molecular weight of 197.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-cyclopentylmethanone is sourced from PubChem (CID 176892157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).