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

C15H21N3O2S — CID 70772226

IUPAC1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CCNC(=O)C2CC(=O)N(C3CC3)C2)cs1
InChIInChI=1S/C15H21N3O2S/c1-2-13-17-11(9-21-13)5-6-16-15(20)10-7-14(19)18(8-10)12-3-4-12/h9-10,12H,2-8H2,1H3,(H,16,20)
InChIKeyZHVZXAWDBKXYCB-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.38
Rot. Bonds6

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

1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70772226) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70772226
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CCNC(=O)C2CC(=O)N(C3CC3)C2)cs1
InChIInChI=1S/C15H21N3O2S/c1-2-13-17-11(9-21-13)5-6-16-15(20)10-7-14(19)18(8-10)12-3-4-12/h9-10,12H,2-8H2,1H3,(H,16,20)
InChIKeyZHVZXAWDBKXYCB-UHFFFAOYSA-N
XLogP1.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 49356774
(3R)-1-cyclopropyl-5-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 94353199
(3R)-N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97080842
(3R)-1-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51596528
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]urea
CID 75500635
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
CID 45231821
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 70762923
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 70772226) is 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCc1nc(CCNC(=O)C2CC(=O)N(C3CC3)C2)cs1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZHVZXAWDBKXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-13-17-11(9-21-13)5-6-16-15(20)10-7-14(19)18(8-10)12-3-4-12/h9-10,12H,2-8H2,1H3,(H,16,20).
What are the key properties of 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70772226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).