N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C15H22N4O2S — CID 45493742

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)Nc2nnc(C3CC3)s2)CC1=O
InChIInChI=1S/C15H22N4O2S/c1-9(2)5-6-19-8-11(7-12(19)20)13(21)16-15-18-17-14(22-15)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,16,18,21)
InChIKeyRVTPHPWKZUSAHT-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.25
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 45493742) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID45493742
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)Nc2nnc(C3CC3)s2)CC1=O
InChIInChI=1S/C15H22N4O2S/c1-9(2)5-6-19-8-11(7-12(19)20)13(21)16-15-18-17-14(22-15)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,16,18,21)
InChIKeyRVTPHPWKZUSAHT-UHFFFAOYSA-N
XLogP2.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7873603
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4785258
(3R)-1-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9398871
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
(3R)-1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 99990508
(3S)-1-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 9399422
(3R)-1-butyl-5-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 9399775
1-(2-bromophenyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 42953075
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9389767
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 52996304
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
1-[(4-chlorophenyl)methyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 45494970

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 45493742) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)Nc2nnc(C3CC3)s2)CC1=O.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RVTPHPWKZUSAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-9(2)5-6-19-8-11(7-12(19)20)13(21)16-15-18-17-14(22-15)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,16,18,21).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 45493742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).