(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C17H27N3O2S — CID 50831565

IUPAC(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC[C@@H]1C(=O)NCCc1csc(C)n1
InChIInChI=1S/C17H27N3O2S/c1-4-13(5-2)17(22)20-10-6-7-15(20)16(21)18-9-8-14-11-23-12(3)19-14/h11,13,15H,4-10H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyBMHTYTIZJYJCOX-OAHLLOKOSA-N
MW337.49 g/mol
LogP2.54
Rot. Bonds7

About (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 50831565) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID50831565
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC[C@@H]1C(=O)NCCc1csc(C)n1
InChIInChI=1S/C17H27N3O2S/c1-4-13(5-2)17(22)20-10-6-7-15(20)16(21)18-9-8-14-11-23-12(3)19-14/h11,13,15H,4-10H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyBMHTYTIZJYJCOX-OAHLLOKOSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 50831565) is (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is CCC(CC)C(=O)N1CCC[C@@H]1C(=O)NCCc1csc(C)n1.
What is the InChIKey of (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BMHTYTIZJYJCOX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-13(5-2)17(22)20-10-6-7-15(20)16(21)18-9-8-14-11-23-12(3)19-14/h11,13,15H,4-10H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 50831565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).