4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide

C8H12N4OS — CID 79685772

IUPAC4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C8H12N4OS/c1-5-7(14-12-11-5)8(13)10-6-2-3-9-4-6/h6,9H,2-4H2,1H3,(H,10,13)/t6-/m1/s1
InChIKeyXYKUPOLXNWBDGJ-ZCFIWIBFSA-N
MW212.28 g/mol
LogP-0.06
Rot. Bonds2

About 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide

4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 79685772) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
PubChem CID79685772
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@@H]1CCNC1
InChIInChI=1S/C8H12N4OS/c1-5-7(14-12-11-5)8(13)10-6-2-3-9-4-6/h6,9H,2-4H2,1H3,(H,10,13)/t6-/m1/s1
InChIKeyXYKUPOLXNWBDGJ-ZCFIWIBFSA-N
XLogP-0.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
4-tert-butyl-N-[(3S)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
CID 79687974
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
CID 114301139
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 67204816
N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
CID 3876536
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
CID 63258149
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide (CID 79685772) is 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@@H]1CCNC1.
What is the InChIKey of 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is XYKUPOLXNWBDGJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-7(14-12-11-5)8(13)10-6-2-3-9-4-6/h6,9H,2-4H2,1H3,(H,10,13)/t6-/m1/s1.
What are the key properties of 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide?
4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 212.28 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 79685772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).