N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C14H20N4O2S — CID 154568494

IUPACN-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nnc(N2CC(C(=O)NC3CCC3)CC2=O)s1
InChIInChI=1S/C14H20N4O2S/c1-8(2)13-16-17-14(21-13)18-7-9(6-11(18)19)12(20)15-10-4-3-5-10/h8-10H,3-7H2,1-2H3,(H,15,20)
InChIKeyVYLMYBSJWKXCBL-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.68
Rot. Bonds4

About N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 154568494) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID154568494
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCC(C)c1nnc(N2CC(C(=O)NC3CCC3)CC2=O)s1
InChIInChI=1S/C14H20N4O2S/c1-8(2)13-16-17-14(21-13)18-7-9(6-11(18)19)12(20)15-10-4-3-5-10/h8-10H,3-7H2,1-2H3,(H,15,20)
InChIKeyVYLMYBSJWKXCBL-UHFFFAOYSA-N
XLogP1.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154568327
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 154818989
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-(3-propoxypropyl)pyrrolidine-3-carboxamide
CID 155506100
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154566271
N-[(2,6-dimethoxyphenyl)methyl]-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 154563569
N-cyclohexyl-1-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190469
5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 155499154
1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 155494686
N-cyclopentyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 18525226
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155504376
N-(1,1-dioxothian-4-yl)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155510039
(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 154568494) is N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CC(C)c1nnc(N2CC(C(=O)NC3CCC3)CC2=O)s1.
What is the InChIKey of N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is VYLMYBSJWKXCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-8(2)13-16-17-14(21-13)18-7-9(6-11(18)19)12(20)15-10-4-3-5-10/h8-10H,3-7H2,1-2H3,(H,15,20).
What are the key properties of N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-oxo-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154568494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).