(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide

C8H11N3O2S — CID 99828419

IUPAC(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide
SMILESO=C(Nc1cnns1)[C@H]1CCCOC1
InChIInChI=1S/C8H11N3O2S/c12-8(6-2-1-3-13-5-6)10-7-4-9-11-14-7/h4,6H,1-3,5H2,(H,10,12)/t6-/m0/s1
InChIKeyZMHCZJGTADCWLU-LURJTMIESA-N
MW213.26 g/mol
LogP0.90
Rot. Bonds2

About (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide

(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide (PubChem CID 99828419) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide
PubChem CID99828419
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide
SMILESO=C(Nc1cnns1)[C@H]1CCCOC1
InChIInChI=1S/C8H11N3O2S/c12-8(6-2-1-3-13-5-6)10-7-4-9-11-14-7/h4,6H,1-3,5H2,(H,10,12)/t6-/m0/s1
InChIKeyZMHCZJGTADCWLU-LURJTMIESA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
(1S)-2,2-dimethyl-N-(thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 130711107
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide
CID 47314647
N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
CID 62761043
N-(4-pyrrolidin-1-ylphenyl)oxane-3-carboxamide
CID 110862080
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
(3R)-oxane-3-carboxylic acid
CID 42554318
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide?
The IUPAC name of (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide (CID 99828419) is (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide?
The canonical SMILES for (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide is O=C(Nc1cnns1)[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide?
The InChIKey is ZMHCZJGTADCWLU-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(6-2-1-3-13-5-6)10-7-4-9-11-14-7/h4,6H,1-3,5H2,(H,10,12)/t6-/m0/s1.
What are the key properties of (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide?
(3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(thiadiazol-5-yl)oxane-3-carboxamide is sourced from PubChem (CID 99828419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).