(3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

C9H13N3OS — CID 170768732

IUPAC(3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCC(C)C2)n1
InChIInChI=1S/C9H13N3OS/c1-6-3-4-12(5-6)9(13)8-10-7(2)11-14-8/h6H,3-5H2,1-2H3
InChIKeyQDDYRUFJFPMMPE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.33
Rot. Bonds1

About (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone

(3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (PubChem CID 170768732) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
PubChem CID170768732
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone
SMILESCc1nsc(C(=O)N2CCC(C)C2)n1
InChIInChI=1S/C9H13N3OS/c1-6-3-4-12(5-6)9(13)8-10-7(2)11-14-8/h6H,3-5H2,1-2H3
InChIKeyQDDYRUFJFPMMPE-UHFFFAOYSA-N
XLogP1.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(S)-3-methyl-1-piperidyl](3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 97355265
1-(3-Methyl-1,2,4-thiadiazole-5-carbonyl)piperidine
CID 71807110
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
(5-Methyl-1,2,4-thiadiazol-3-yl)-piperidin-1-ylmethanone
CID 58800873
3-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-1,2,4-thiadiazole-5-carboxamide
CID 130365333
3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide
CID 130365335
5-cyclopropyl-N-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)-1,2,4-thiadiazole-3-carboxamide
CID 130365437
5-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
CID 130365440
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-3-carboxamide
CID 130375913
3-cyclopropyl-N-[(3R,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide;molecular hydrogen
CID 145040146
1-(3-Methyl-1,2,4-thiadiazol-5-yl)-3-propylimidazolidine-2,4,5-trione
CID 151419926
3-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2,4-thiadiazole-5-carboxamide
CID 153449126

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone (CID 170768732) is (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is Cc1nsc(C(=O)N2CCC(C)C2)n1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
The InChIKey is QDDYRUFJFPMMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-3-4-12(5-6)9(13)8-10-7(2)11-14-8/h6H,3-5H2,1-2H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone?
(3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone has a molecular weight of 211.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(3-methyl-1,2,4-thiadiazol-5-yl)methanone is sourced from PubChem (CID 170768732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).