1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

C8H12N4OS — CID 133424929

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1nsc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C8H12N4OS/c1-5-10-8(14-11-5)12-4-2-3-6(12)7(9)13/h6H,2-4H2,1H3,(H2,9,13)
InChIKeySSIGEBCBNPTJJX-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.30
Rot. Bonds2

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 133424929) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID133424929
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1nsc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C8H12N4OS/c1-5-10-8(14-11-5)12-4-2-3-6(12)7(9)13/h6H,2-4H2,1H3,(H2,9,13)
InChIKeySSIGEBCBNPTJJX-UHFFFAOYSA-N
XLogP0.30
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
CID 154830337
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65272964
4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine-3-carboxylic acid
CID 82901429
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702
1-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829551
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
1-(6-amino-2,5-dimethylpyrimidin-4-yl)piperidine-2-carboxamide
CID 80806267
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 133424929) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is Cc1nsc(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is SSIGEBCBNPTJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-10-8(14-11-5)12-4-2-3-6(12)7(9)13/h6H,2-4H2,1H3,(H2,9,13).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 133424929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).