1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C14H20N4O3S — CID 6497389

IUPAC1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C14H20N4O3S/c1-21-8-11-16-17-14(22-11)15-13(20)9-6-12(19)18(7-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,17,20)
InChIKeyXTRPJXMDZNKFGH-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.41
Rot. Bonds5

About 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497389) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6497389
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C14H20N4O3S/c1-21-8-11-16-17-14(22-11)15-13(20)9-6-12(19)18(7-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,17,20)
InChIKeyXTRPJXMDZNKFGH-UHFFFAOYSA-N
XLogP1.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2985033
1-cyclohexyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 2987441
1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6471594
1-cyclopentyl-5-oxo-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 6497393
1-cyclopentyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497395
1-cyclopentyl-5-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 6497396
N-cyclopentyl-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 942243
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2991661
1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6497367
1-cyclopentyl-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
CID 6497397
(3R)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9364723
(3S)-1-cyclopentyl-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9364724

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 6497389) is 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is COCc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1.
What is the InChIKey of 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XTRPJXMDZNKFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-21-8-11-16-17-14(22-11)15-13(20)9-6-12(19)18(7-9)10-4-2-3-5-10/h9-10H,2-8H2,1H3,(H,15,17,20).
What are the key properties of 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).