2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C11H17N3O2S — CID 155046863

IUPAC2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC[C@H]1C[C@@H](O)CN1Cc1cnc(CC(N)=O)s1
InChIInChI=1S/C11H17N3O2S/c1-7-2-8(15)5-14(7)6-9-4-13-11(17-9)3-10(12)16/h4,7-8,15H,2-3,5-6H2,1H3,(H2,12,16)/t7-,8+/m0/s1
InChIKeySUAZYHBRQFSHPQ-JGVFFNPUSA-N
MW255.34 g/mol
LogP0.13
Rot. Bonds4

About 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155046863) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155046863
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESC[C@H]1C[C@@H](O)CN1Cc1cnc(CC(N)=O)s1
InChIInChI=1S/C11H17N3O2S/c1-7-2-8(15)5-14(7)6-9-4-13-11(17-9)3-10(12)16/h4,7-8,15H,2-3,5-6H2,1H3,(H2,12,16)/t7-,8+/m0/s1
InChIKeySUAZYHBRQFSHPQ-JGVFFNPUSA-N
XLogP0.13
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155046863) is 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is C[C@H]1C[C@@H](O)CN1Cc1cnc(CC(N)=O)s1.
What is the InChIKey of 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SUAZYHBRQFSHPQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-2-8(15)5-14(7)6-9-4-13-11(17-9)3-10(12)16/h4,7-8,15H,2-3,5-6H2,1H3,(H2,12,16)/t7-,8+/m0/s1.
What are the key properties of 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2S,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155046863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).