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

C14H22N4O3S — CID 6497367

IUPAC1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)s1
InChIInChI=1S/C14H22N4O3S/c1-5-21-8-10-16-17-13(22-10)15-12(20)9-6-11(19)18(7-9)14(2,3)4/h9H,5-8H2,1-4H3,(H,15,17,20)
InChIKeyXQMBMGPYRJPONT-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.66
Rot. Bonds5

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

1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497367) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID6497367
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCc1nnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)s1
InChIInChI=1S/C14H22N4O3S/c1-5-21-8-10-16-17-13(22-10)15-12(20)9-6-11(19)18(7-9)14(2,3)4/h9H,5-8H2,1-4H3,(H,15,17,20)
InChIKeyXQMBMGPYRJPONT-UHFFFAOYSA-N
XLogP1.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6471594
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-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-(morpholin-4-yl)-4-oxobutanamide
CID 664017
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide
CID 2991661
4-(2,5-dioxo-1-pyrrolidinyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)butanamide
CID 769635
1-tert-butyl-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-oxopyrrolidine-3-carboxamide
CID 6472199
3-(2,5-dioxopyrrolidin-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16450330
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9365373
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 9365374

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 6497367) is 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is CCOCc1nnc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)s1.
What is the InChIKey of 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XQMBMGPYRJPONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-5-21-8-10-16-17-13(22-10)15-12(20)9-6-11(19)18(7-9)14(2,3)4/h9H,5-8H2,1-4H3,(H,15,17,20).
What are the key properties of 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).