(3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C10H15N3OS — CID 69203841

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C10H15N3OS/c1-7-8(15-12-11-7)9(14)13-5-4-10(2,3)6-13/h4-6H2,1-3H3
InChIKeyLZGZHUYKMJZCIG-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.72
Rot. Bonds1

About (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 69203841) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID69203841
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C10H15N3OS/c1-7-8(15-12-11-7)9(14)13-5-4-10(2,3)6-13/h4-6H2,1-3H3
InChIKeyLZGZHUYKMJZCIG-UHFFFAOYSA-N
XLogP1.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 69203841) is (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is LZGZHUYKMJZCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-8(15-12-11-7)9(14)13-5-4-10(2,3)6-13/h4-6H2,1-3H3.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 69203841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).