(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H18N4O2S — CID 97150664

IUPAC(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)s1
InChIInChI=1S/C13H18N4O2S/c1-8-15-16-11(20-8)4-5-14-13(19)9-6-12(18)17(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H,14,19)/t9-/m0/s1
InChIKeyWJJWORMYXRIILT-VIFPVBQESA-N
MW294.38 g/mol
LogP0.52
Rot. Bonds5

About (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97150664) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97150664
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nnc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)s1
InChIInChI=1S/C13H18N4O2S/c1-8-15-16-11(20-8)4-5-14-13(19)9-6-12(18)17(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H,14,19)/t9-/m0/s1
InChIKeyWJJWORMYXRIILT-VIFPVBQESA-N
XLogP0.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 70762923
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 72885646
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
1-cyclopentyl-N-[2-(5-methylthiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70742007
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822
(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97150664) is (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1nnc(CCNC(=O)[C@H]2CC(=O)N(C3CC3)C2)s1.
What is the InChIKey of (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WJJWORMYXRIILT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-15-16-11(20-8)4-5-14-13(19)9-6-12(18)17(7-9)10-2-3-10/h9-10H,2-7H2,1H3,(H,14,19)/t9-/m0/s1.
What are the key properties of (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97150664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).