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

C15H22N4O3S — CID 6471594

IUPAC1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C15H22N4O3S/c1-2-22-9-12-17-18-15(23-12)16-14(21)10-7-13(20)19(8-10)11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,16,18,21)
InChIKeyMKMAUSKALJVXJQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.80
Rot. Bonds6

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

1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6471594) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6471594
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1
InChIInChI=1S/C15H22N4O3S/c1-2-22-9-12-17-18-15(23-12)16-14(21)10-7-13(20)19(8-10)11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,16,18,21)
InChIKeyMKMAUSKALJVXJQ-UHFFFAOYSA-N
XLogP1.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.80
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-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6497389
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
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
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9365373

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 6471594) is 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(NC(=O)C2CC(=O)N(C3CCCC3)C2)s1.
What is the InChIKey of 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MKMAUSKALJVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-2-22-9-12-17-18-15(23-12)16-14(21)10-7-13(20)19(8-10)11-5-3-4-6-11/h10-11H,2-9H2,1H3,(H,16,18,21).
What are the key properties of 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6471594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).