N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

C16H19N3O2S — CID 99834882

IUPACN-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN[C@H]2CCO[C@@H]2c2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-11(20)18-16-19-13(10-22-16)9-17-14-7-8-21-15(14)12-5-3-2-4-6-12/h2-6,10,14-15,17H,7-9H2,1H3,(H,18,19,20)/t14-,15+/m0/s1
InChIKeyQINIJZWXDYOHTK-LSDHHAIUSA-N
MW317.41 g/mol
LogP2.72
Rot. Bonds5

About N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 99834882) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID99834882
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN[C@H]2CCO[C@@H]2c2ccccc2)cs1
InChIInChI=1S/C16H19N3O2S/c1-11(20)18-16-19-13(10-22-16)9-17-14-7-8-21-15(14)12-5-3-2-4-6-12/h2-6,10,14-15,17H,7-9H2,1H3,(H,18,19,20)/t14-,15+/m0/s1
InChIKeyQINIJZWXDYOHTK-LSDHHAIUSA-N
XLogP2.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 99834882) is N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN[C@H]2CCO[C@@H]2c2ccccc2)cs1.
What is the InChIKey of N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QINIJZWXDYOHTK-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(20)18-16-19-13(10-22-16)9-17-14-7-8-21-15(14)12-5-3-2-4-6-12/h2-6,10,14-15,17H,7-9H2,1H3,(H,18,19,20)/t14-,15+/m0/s1.
What are the key properties of N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2R,3S)-2-phenyloxolan-3-yl]amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 99834882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).