(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

C8H11N3O2S — CID 1086842

IUPAC(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESCc1nnc(NC(=O)[C@H]2CCCO2)s1
InChIInChI=1S/C8H11N3O2S/c1-5-10-11-8(14-5)9-7(12)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,9,11,12)/t6-/m1/s1
InChIKeyRLFBFKSVCVCFHJ-ZCFIWIBFSA-N
MW213.26 g/mol
LogP0.96
Rot. Bonds2

About (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide

(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (PubChem CID 1086842) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
PubChem CID1086842
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
SMILESCc1nnc(NC(=O)[C@H]2CCCO2)s1
InChIInChI=1S/C8H11N3O2S/c1-5-10-11-8(14-5)9-7(12)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,9,11,12)/t6-/m1/s1
InChIKeyRLFBFKSVCVCFHJ-ZCFIWIBFSA-N
XLogP0.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide (CID 1086842) is (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is Cc1nnc(NC(=O)[C@H]2CCCO2)s1.
What is the InChIKey of (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
The InChIKey is RLFBFKSVCVCFHJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-10-11-8(14-5)9-7(12)6-3-2-4-13-6/h6H,2-4H2,1H3,(H,9,11,12)/t6-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide?
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 1086842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).