N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

C19H22N2O2S — CID 154770700

IUPACN-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccccc2)n1)NC[C@@]12CCC[C@@H]1C2
InChIInChI=1S/C19H22N2O2S/c22-17(20-13-19-8-4-5-14(19)10-19)9-15-12-24-18(21-15)11-23-16-6-2-1-3-7-16/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,20,22)/t14-,19+/m1/s1
InChIKeyDWIYOODAZQRGKG-KUHUBIRLSA-N
MW342.46 g/mol
LogP3.57
Rot. Bonds7

About N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide

N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 154770700) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID154770700
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccccc2)n1)NC[C@@]12CCC[C@@H]1C2
InChIInChI=1S/C19H22N2O2S/c22-17(20-13-19-8-4-5-14(19)10-19)9-15-12-24-18(21-15)11-23-16-6-2-1-3-7-16/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,20,22)/t14-,19+/m1/s1
InChIKeyDWIYOODAZQRGKG-KUHUBIRLSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide (CID 154770700) is N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(COc2ccccc2)n1)NC[C@@]12CCC[C@@H]1C2.
What is the InChIKey of N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DWIYOODAZQRGKG-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-17(20-13-19-8-4-5-14(19)10-19)9-15-12-24-18(21-15)11-23-16-6-2-1-3-7-16/h1-3,6-7,12,14H,4-5,8-11,13H2,(H,20,22)/t14-,19+/m1/s1.
What are the key properties of N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide?
N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 154770700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).