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

C12H19N3O2S — CID 165082552

IUPACN-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCO[C@@H]1C[C@H](C)N(Cc2cnc(NC(C)=O)s2)C1
InChIInChI=1S/C12H19N3O2S/c1-8-4-10(17-3)6-15(8)7-11-5-13-12(18-11)14-9(2)16/h5,8,10H,4,6-7H2,1-3H3,(H,13,14,16)/t8-,10+/m0/s1
InChIKeyIAVXOEMEQFZASI-WCBMZHEXSA-N
MW269.37 g/mol
LogP1.71
Rot. Bonds4

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

N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 165082552) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID165082552
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCO[C@@H]1C[C@H](C)N(Cc2cnc(NC(C)=O)s2)C1
InChIInChI=1S/C12H19N3O2S/c1-8-4-10(17-3)6-15(8)7-11-5-13-12(18-11)14-9(2)16/h5,8,10H,4,6-7H2,1-3H3,(H,13,14,16)/t8-,10+/m0/s1
InChIKeyIAVXOEMEQFZASI-WCBMZHEXSA-N
XLogP1.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 165082552) is N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CO[C@@H]1C[C@H](C)N(Cc2cnc(NC(C)=O)s2)C1.
What is the InChIKey of N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IAVXOEMEQFZASI-WCBMZHEXSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-4-10(17-3)6-15(8)7-11-5-13-12(18-11)14-9(2)16/h5,8,10H,4,6-7H2,1-3H3,(H,13,14,16)/t8-,10+/m0/s1.
What are the key properties of N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4R)-4-methoxy-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 165082552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).