N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C13H20N2O3S — CID 91778637

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)CCc1scnc1C
InChIInChI=1S/C13H20N2O3S/c1-9-12(19-8-14-9)3-4-13(16)15-10-7-18-6-5-11(10)17-2/h8,10-11H,3-7H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyYEXHVFMYMXAUGT-GHMZBOCLSA-N
MW284.38 g/mol
LogP1.30
Rot. Bonds5

About N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 91778637) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID91778637
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)CCc1scnc1C
InChIInChI=1S/C13H20N2O3S/c1-9-12(19-8-14-9)3-4-13(16)15-10-7-18-6-5-11(10)17-2/h8,10-11H,3-7H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyYEXHVFMYMXAUGT-GHMZBOCLSA-N
XLogP1.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 91778637) is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is CO[C@@H]1CCOC[C@H]1NC(=O)CCc1scnc1C.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is YEXHVFMYMXAUGT-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-12(19-8-14-9)3-4-13(16)15-10-7-18-6-5-11(10)17-2/h8,10-11H,3-7H2,1-2H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 91778637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).