(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide

C8H12N4O2S — CID 154735256

IUPAC(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCC[C@H]1CO
InChIInChI=1S/C8H12N4O2S/c13-5-6-2-1-3-12(6)8(14)10-7-4-9-11-15-7/h4,6,13H,1-3,5H2,(H,10,14)/t6-/m0/s1
InChIKeyUJDVXTZNDQSOIW-LURJTMIESA-N
MW228.28 g/mol
LogP0.53
Rot. Bonds2

About (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 154735256) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID154735256
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnns1)N1CCC[C@H]1CO
InChIInChI=1S/C8H12N4O2S/c13-5-6-2-1-3-12(6)8(14)10-7-4-9-11-15-7/h4,6,13H,1-3,5H2,(H,10,14)/t6-/m0/s1
InChIKeyUJDVXTZNDQSOIW-LURJTMIESA-N
XLogP0.53
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclohexylethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 126787490
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
4-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 61409989
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
(2S)-N-(3,5-dichloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111116955
(2S)-2-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78942782
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
dimethyl 5-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 72911500
(E)-3-cyclopropyl-N-(thiadiazol-5-yl)prop-2-enamide
CID 131234805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 154735256) is (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1cnns1)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is UJDVXTZNDQSOIW-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4O2S/c13-5-6-2-1-3-12(6)8(14)10-7-4-9-11-15-7/h4,6,13H,1-3,5H2,(H,10,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 228.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154735256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).