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

C15H22N2O3S — CID 133267421

IUPACN-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCOC[C@H]1[C@H](NC(=O)CCc2scnc2C)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H22N2O3S/c1-9-12(21-8-16-9)3-4-13(18)17-14-10-5-6-20-15(10)11(14)7-19-2/h8,10-11,14-15H,3-7H2,1-2H3,(H,17,18)/t10-,11+,14-,15-/m1/s1
InChIKeyKJCBTWROZMGFHR-BAESOJJISA-N
MW310.42 g/mol
LogP1.55
Rot. Bonds6

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

N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 133267421) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID133267421
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCOC[C@H]1[C@H](NC(=O)CCc2scnc2C)[C@H]2CCO[C@H]21
InChIInChI=1S/C15H22N2O3S/c1-9-12(21-8-16-9)3-4-13(18)17-14-10-5-6-20-15(10)11(14)7-19-2/h8,10-11,14-15H,3-7H2,1-2H3,(H,17,18)/t10-,11+,14-,15-/m1/s1
InChIKeyKJCBTWROZMGFHR-BAESOJJISA-N
XLogP1.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of 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) is N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is COC[C@H]1[C@H](NC(=O)CCc2scnc2C)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is KJCBTWROZMGFHR-BAESOJJISA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9-12(21-8-16-9)3-4-13(18)17-14-10-5-6-20-15(10)11(14)7-19-2/h8,10-11,14-15H,3-7H2,1-2H3,(H,17,18)/t10-,11+,14-,15-/m1/s1.
What are the key properties of N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 133267421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).