4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one

C10H16N4OS — CID 168659187

IUPAC4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1nsc(N2CC(CN)CC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)9-12-10(16-13-9)14-5-7(4-11)3-8(14)15/h6-7H,3-5,11H2,1-2H3
InChIKeyVIWKUDHZSWCXOI-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.97
Rot. Bonds3

About 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one (PubChem CID 168659187) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
PubChem CID168659187
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one
SMILESCC(C)c1nsc(N2CC(CN)CC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-6(2)9-12-10(16-13-9)14-5-7(4-11)3-8(14)15/h6-7H,3-5,11H2,1-2H3
InChIKeyVIWKUDHZSWCXOI-UHFFFAOYSA-N
XLogP0.97
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one (CID 168659187) is 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one is CC(C)c1nsc(N2CC(CN)CC2=O)n1.
What is the InChIKey of 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
The InChIKey is VIWKUDHZSWCXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-6(2)9-12-10(16-13-9)14-5-7(4-11)3-8(14)15/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).