2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide

C16H28N4O2S — CID 72886847

IUPAC2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(Cc2snnc2C(C)C)C[C@@H]1NC(=O)COC
InChIInChI=1S/C16H28N4O2S/c1-5-6-12-7-20(8-13(12)17-15(21)10-22-4)9-14-16(11(2)3)18-19-23-14/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyHENAXWVKYXKHNO-STQMWFEESA-N
MW340.49 g/mol
LogP2.02
Rot. Bonds8

About 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide

2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72886847) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72886847
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(Cc2snnc2C(C)C)C[C@@H]1NC(=O)COC
InChIInChI=1S/C16H28N4O2S/c1-5-6-12-7-20(8-13(12)17-15(21)10-22-4)9-14-16(11(2)3)18-19-23-14/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-,13-/m0/s1
InChIKeyHENAXWVKYXKHNO-STQMWFEESA-N
XLogP2.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide (CID 72886847) is 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(Cc2snnc2C(C)C)C[C@@H]1NC(=O)COC.
What is the InChIKey of 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is HENAXWVKYXKHNO-STQMWFEESA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-5-6-12-7-20(8-13(12)17-15(21)10-22-4)9-14-16(11(2)3)18-19-23-14/h11-13H,5-10H2,1-4H3,(H,17,21)/t12-,13-/m0/s1.
What are the key properties of 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide?
2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 340.49 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3R,4S)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72886847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).