ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one

C12H21N3OS — CID 143347755

IUPACethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
SMILESCC.CCCC1CC(=O)N(Cc2nncs2)C1
InChIInChI=1S/C10H15N3OS.C2H6/c1-2-3-8-4-10(14)13(5-8)6-9-12-11-7-15-9;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyHKGNIVYJAURNCP-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.71
Rot. Bonds4

About ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one

ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one (PubChem CID 143347755) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Nameethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
PubChem CID143347755
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Nameethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one
SMILESCC.CCCC1CC(=O)N(Cc2nncs2)C1
InChIInChI=1S/C10H15N3OS.C2H6/c1-2-3-8-4-10(14)13(5-8)6-9-12-11-7-15-9;1-2/h7-8H,2-6H2,1H3;1-2H3
InChIKeyHKGNIVYJAURNCP-UHFFFAOYSA-N
XLogP2.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
CID 104512655
1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 113421240
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863
4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
CID 80609094
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512673
1-[(2-amino-6-bromophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510848
potassium trifluoro-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]boranuide
CID 104512875
1-[2-ethyl-2-(sulfanylmethyl)butyl]-4-propylpyrrolidin-2-one
CID 104512885
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137

Frequently Asked Questions

What is the IUPAC name of ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one (CID 143347755) is ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one is CC.CCCC1CC(=O)N(Cc2nncs2)C1.
What is the InChIKey of ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is HKGNIVYJAURNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.C2H6/c1-2-3-8-4-10(14)13(5-8)6-9-12-11-7-15-9;1-2/h7-8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one?
ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 255.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propyl-1-(1,3,4-thiadiazol-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 143347755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).