(2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide

C15H23N5O3S — CID 56720064

IUPAC(2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(NC(C)=O)s1
InChIInChI=1S/C15H23N5O3S/c1-4-19(5-2)13(22)11-6-10(16)8-20(11)14(23)12-7-17-15(24-12)18-9(3)21/h7,10-11H,4-6,8,16H2,1-3H3,(H,17,18,21)/t10-,11-/m0/s1
InChIKeyFVFQHKNQSOSIPC-QWRGUYRKSA-N
MW353.45 g/mol
LogP0.51
Rot. Bonds5

About (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide

(2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56720064) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56720064
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name(2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(NC(C)=O)s1
InChIInChI=1S/C15H23N5O3S/c1-4-19(5-2)13(22)11-6-10(16)8-20(11)14(23)12-7-17-15(24-12)18-9(3)21/h7,10-11H,4-6,8,16H2,1-3H3,(H,17,18,21)/t10-,11-/m0/s1
InChIKeyFVFQHKNQSOSIPC-QWRGUYRKSA-N
XLogP0.51
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide (CID 56720064) is (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnc(NC(C)=O)s1.
What is the InChIKey of (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is FVFQHKNQSOSIPC-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-4-19(5-2)13(22)11-6-10(16)8-20(11)14(23)12-7-17-15(24-12)18-9(3)21/h7,10-11H,4-6,8,16H2,1-3H3,(H,17,18,21)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-(2-acetamido-1,3-thiazole-5-carbonyl)-4-amino-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56720064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).