1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide

C9H14N4O2S — CID 154830337

IUPAC1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
SMILESCOCc1nsc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C9H14N4O2S/c1-15-5-7-11-9(16-12-7)13-4-2-3-6(13)8(10)14/h6H,2-5H2,1H3,(H2,10,14)
InChIKeyDWLFOOBVRDNPMF-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.14
Rot. Bonds4

About 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide

1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide (PubChem CID 154830337) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
PubChem CID154830337
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
SMILESCOCc1nsc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C9H14N4O2S/c1-15-5-7-11-9(16-12-7)13-4-2-3-6(13)8(10)14/h6H,2-5H2,1H3,(H2,10,14)
InChIKeyDWLFOOBVRDNPMF-UHFFFAOYSA-N
XLogP0.14
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 133424929
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
ethyl 1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxylate
CID 113331456
5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 97329516
cyclopropyl-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone
CID 133499006
3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 42775754
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide
CID 3279163
[1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 42778267
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 124890486
[1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 42778251

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide (CID 154830337) is 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide is COCc1nsc(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is DWLFOOBVRDNPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-15-5-7-11-9(16-12-7)13-4-2-3-6(13)8(10)14/h6H,2-5H2,1H3,(H2,10,14).
What are the key properties of 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide?
1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154830337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).