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

C9H14N4OS — CID 50977048

IUPAC2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC2C)n1
InChIInChI=1S/C9H14N4OS/c1-6-4-3-5-13(6)9(14)11-8-10-7(2)12-15-8/h6H,3-5H2,1-2H3,(H,10,11,12,14)
InChIKeyWORZSSOLHAMZMZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.86
Rot. Bonds1

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

2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 50977048) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID50977048
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCC2C)n1
InChIInChI=1S/C9H14N4OS/c1-6-4-3-5-13(6)9(14)11-8-10-7(2)12-15-8/h6H,3-5H2,1-2H3,(H,10,11,12,14)
InChIKeyWORZSSOLHAMZMZ-UHFFFAOYSA-N
XLogP1.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
1-(1-Methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 47000263
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 50968784
N-cycloheptyl-N-methyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46985119
4-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46990975
4,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46998569
1,1-Dicyclohexyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 11416022
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
4-Methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1-propan-2-ylimidazolidin-2-one
CID 135164338
4-isopropyl-3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 46988825
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 46989101
1-Methyl-1-(1-methylpiperidin-4-yl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46999542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide (CID 50977048) is 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is Cc1nsc(NC(=O)N2CCCC2C)n1.
What is the InChIKey of 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is WORZSSOLHAMZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-4-3-5-13(6)9(14)11-8-10-7(2)12-15-8/h6H,3-5H2,1-2H3,(H,10,11,12,14).
What are the key properties of 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide?
2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50977048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).