3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C11H17N3OS — CID 63140977

IUPAC3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ncc(C)s2)CCNC1
InChIInChI=1S/C11H17N3OS/c1-3-11(4-5-12-7-11)9(15)14-10-13-6-8(2)16-10/h6,12H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyKSOYQNNNVYUEAK-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.78
Rot. Bonds3

About 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 63140977) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID63140977
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ncc(C)s2)CCNC1
InChIInChI=1S/C11H17N3OS/c1-3-11(4-5-12-7-11)9(15)14-10-13-6-8(2)16-10/h6,12H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyKSOYQNNNVYUEAK-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876
N-(5-bromo-4-methyl-2-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 79734509
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
3-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 103826076
N-(6-chloro-4-methyl-3-pyridinyl)-3-ethylpyrrolidine-3-carboxamide
CID 113286068
3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 63139330
3-ethyl-N-(1,2-oxazol-4-yl)pyrrolidine-3-carboxamide
CID 63142572
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-ethylpyrrolidine-3-carboxamide
CID 63139347
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
CID 113433636
1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 78994872

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 63140977) is 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ncc(C)s2)CCNC1.
What is the InChIKey of 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is KSOYQNNNVYUEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-11(4-5-12-7-11)9(15)14-10-13-6-8(2)16-10/h6,12H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).