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

C9H14N4OS — CID 115976442

IUPAC4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nsc(NC(=O)C2CNCC2C)n1
InChIInChI=1S/C9H14N4OS/c1-5-3-10-4-7(5)8(14)12-9-11-6(2)13-15-9/h5,7,10H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyGCKUKLNHOAHFSW-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.64
Rot. Bonds2

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

4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 115976442) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID115976442
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
SMILESCc1nsc(NC(=O)C2CNCC2C)n1
InChIInChI=1S/C9H14N4OS/c1-5-3-10-4-7(5)8(14)12-9-11-6(2)13-15-9/h5,7,10H,3-4H2,1-2H3,(H,11,12,13,14)
InChIKeyGCKUKLNHOAHFSW-UHFFFAOYSA-N
XLogP0.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
N-(3-Methyl-1,2,4-thiadiazol-5-YL)piperidine-4-carboxamide
CID 91636200
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 164633149
N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113512959
3-fluoro-N,N-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
CID 126856925
(3R,4R)-1-(3-methyl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 138018740
N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 154739520
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidine-3-carboxamide
CID 156008796
N-cyclopropyl-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide
CID 171326482
4-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]butanamide
CID 65267565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide (CID 115976442) is 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is Cc1nsc(NC(=O)C2CNCC2C)n1.
What is the InChIKey of 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is GCKUKLNHOAHFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-5-3-10-4-7(5)8(14)12-9-11-6(2)13-15-9/h5,7,10H,3-4H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide?
4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115976442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).