cyclopentyl thiadiazole-5-carboxylate

C8H10N2O2S — CID 127009514

IUPACcyclopentyl thiadiazole-5-carboxylate
SMILESO=C(OC1CCCC1)c1cnns1
InChIInChI=1S/C8H10N2O2S/c11-8(7-5-9-10-13-7)12-6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyNFLZYMUISDTEKM-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.64
Rot. Bonds2

About cyclopentyl thiadiazole-5-carboxylate

cyclopentyl thiadiazole-5-carboxylate (PubChem CID 127009514) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is cyclopentyl thiadiazole-5-carboxylate.

Molecular Properties

Compound Namecyclopentyl thiadiazole-5-carboxylate
PubChem CID127009514
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Namecyclopentyl thiadiazole-5-carboxylate
SMILESO=C(OC1CCCC1)c1cnns1
InChIInChI=1S/C8H10N2O2S/c11-8(7-5-9-10-13-7)12-6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyNFLZYMUISDTEKM-UHFFFAOYSA-N
XLogP1.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl thiadiazole-5-carboxylate?
The IUPAC name of cyclopentyl thiadiazole-5-carboxylate (CID 127009514) is cyclopentyl thiadiazole-5-carboxylate.
What is the SMILES notation for cyclopentyl thiadiazole-5-carboxylate?
The canonical SMILES for cyclopentyl thiadiazole-5-carboxylate is O=C(OC1CCCC1)c1cnns1.
What is the InChIKey of cyclopentyl thiadiazole-5-carboxylate?
The InChIKey is NFLZYMUISDTEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(7-5-9-10-13-7)12-6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of cyclopentyl thiadiazole-5-carboxylate?
cyclopentyl thiadiazole-5-carboxylate has a molecular weight of 198.25 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl thiadiazole-5-carboxylate is sourced from PubChem (CID 127009514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).