N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C14H22N4O2S — CID 50965503

IUPACN-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnsc1CN(C)C(=O)C1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C14H22N4O2S/c1-9(2)6-18-7-11(5-13(18)19)14(20)17(4)8-12-10(3)15-16-21-12/h9,11H,5-8H2,1-4H3
InChIKeyODKITNWXEZJAOH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.31
Rot. Bonds5

About N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50965503) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50965503
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnsc1CN(C)C(=O)C1CC(=O)N(CC(C)C)C1
InChIInChI=1S/C14H22N4O2S/c1-9(2)6-18-7-11(5-13(18)19)14(20)17(4)8-12-10(3)15-16-21-12/h9,11H,5-8H2,1-4H3
InChIKeyODKITNWXEZJAOH-UHFFFAOYSA-N
XLogP1.31
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 50965503) is N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1nnsc1CN(C)C(=O)C1CC(=O)N(CC(C)C)C1.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ODKITNWXEZJAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(2)6-18-7-11(5-13(18)19)14(20)17(4)8-12-10(3)15-16-21-12/h9,11H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50965503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).