[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

C16H24N4O3S — CID 110249187

IUPAC[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC1(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H24N4O3S/c1-3-5-12-13(24-18-17-12)14(21)20-7-4-6-16(20,2)15(22)19-8-10-23-11-9-19/h3-11H2,1-2H3
InChIKeyFEXWTFNCGNFFFM-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.34
Rot. Bonds4

About [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone

[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 110249187) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID110249187
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC1(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H24N4O3S/c1-3-5-12-13(24-18-17-12)14(21)20-7-4-6-16(20,2)15(22)19-8-10-23-11-9-19/h3-11H2,1-2H3
InChIKeyFEXWTFNCGNFFFM-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone (CID 110249187) is [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCC1(C)C(=O)N1CCOCC1.
What is the InChIKey of [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is FEXWTFNCGNFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-3-5-12-13(24-18-17-12)14(21)20-7-4-6-16(20,2)15(22)19-8-10-23-11-9-19/h3-11H2,1-2H3.
What are the key properties of [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone?
[2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 110249187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).