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

C8H12N4OS — CID 104700592

IUPACN-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC2)n1
InChIInChI=1S/C8H12N4OS/c1-6-9-7(14-11-6)10-8(13)12-4-2-3-5-12/h2-5H2,1H3,(H,9,10,11,13)
InChIKeyGJBQHJBYBFGJBR-UHFFFAOYSA-N
MW212.28 g/mol
LogP1.47
Rot. Bonds1

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

N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 104700592) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID104700592
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC2)n1
InChIInChI=1S/C8H12N4OS/c1-6-9-7(14-11-6)10-8(13)12-4-2-3-5-12/h2-5H2,1H3,(H,9,10,11,13)
InChIKeyGJBQHJBYBFGJBR-UHFFFAOYSA-N
XLogP1.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 104700592) is N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCC2)n1.
What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is GJBQHJBYBFGJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-6-9-7(14-11-6)10-8(13)12-4-2-3-5-12/h2-5H2,1H3,(H,9,10,11,13).
What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 212.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 104700592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).