2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C16H24N4O2S — CID 95318447

IUPAC2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N(C)c1nccs1
InChIInChI=1S/C16H24N4O2S/c1-12(21)20-9-4-6-14(20)13-5-3-8-19(13)11-15(22)18(2)16-17-7-10-23-16/h7,10,13-14H,3-6,8-9,11H2,1-2H3/t13-,14-/m0/s1
InChIKeySNSZPOBAZYWECE-KBPBESRZSA-N
MW336.46 g/mol
LogP1.58
Rot. Bonds4

About 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 95318447) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID95318447
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N(C)c1nccs1
InChIInChI=1S/C16H24N4O2S/c1-12(21)20-9-4-6-14(20)13-5-3-8-19(13)11-15(22)18(2)16-17-7-10-23-16/h7,10,13-14H,3-6,8-9,11H2,1-2H3/t13-,14-/m0/s1
InChIKeySNSZPOBAZYWECE-KBPBESRZSA-N
XLogP1.58
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 95318447) is 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)N(C)c1nccs1.
What is the InChIKey of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SNSZPOBAZYWECE-KBPBESRZSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12(21)20-9-4-6-14(20)13-5-3-8-19(13)11-15(22)18(2)16-17-7-10-23-16/h7,10,13-14H,3-6,8-9,11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95318447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).