N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C19H22N2O3S — CID 91767534

IUPACN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCOC[C@H]1[C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C19H22N2O3S/c1-23-10-15-17(14-7-8-24-18(14)15)21-16(22)9-13-11-25-19(20-13)12-5-3-2-4-6-12/h2-6,11,14-15,17-18H,7-10H2,1H3,(H,21,22)/t14-,15-,17-,18-/m0/s1
InChIKeyDNAGBOQKUTVGOK-LAQRGFTBSA-N
MW358.46 g/mol
LogP2.52
Rot. Bonds6

About N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 91767534) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID91767534
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCOC[C@H]1[C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C19H22N2O3S/c1-23-10-15-17(14-7-8-24-18(14)15)21-16(22)9-13-11-25-19(20-13)12-5-3-2-4-6-12/h2-6,11,14-15,17-18H,7-10H2,1H3,(H,21,22)/t14-,15-,17-,18-/m0/s1
InChIKeyDNAGBOQKUTVGOK-LAQRGFTBSA-N
XLogP2.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

4-[[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-4-oxobutanoic acid
CID 133268560
2-(2-cyclopropylbenzimidazol-1-yl)-N-[(1R,5R,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133268279
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 133267421
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 91789747
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-phenoxybenzamide
CID 133265551
2-[(dimethylamino)methyl]-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,3-thiazole-4-carboxamide
CID 91781655
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[(1R,5R,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(3-methoxyphenyl)benzamide
CID 133266810
2-(difluoromethoxy)-N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91787561
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 91761629
N-[(1S,5S,6S,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
CID 91772319

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 91767534) is N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is COC[C@H]1[C@@H](NC(=O)Cc2csc(-c3ccccc3)n2)[C@@H]2CCO[C@@H]21.
What is the InChIKey of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DNAGBOQKUTVGOK-LAQRGFTBSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-23-10-15-17(14-7-8-24-18(14)15)21-16(22)9-13-11-25-19(20-13)12-5-3-2-4-6-12/h2-6,11,14-15,17-18H,7-10H2,1H3,(H,21,22)/t14-,15-,17-,18-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 358.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 91767534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).