N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid

C14H20N2O6S — CID 163341528

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid
SMILESCC(=O)O.Cc1nc(CC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cs1
InChIInChI=1S/C12H16N2O4S.C2H4O2/c1-6-13-7(5-19-6)2-10(16)14-8-3-17-12-9(15)4-18-11(8)12;1-2(3)4/h5,8-9,11-12,15H,2-4H2,1H3,(H,14,16);1H3,(H,3,4)/t8-,9-,11-,12-;/m1./s1
InChIKeyNPNZDONWIHJVGW-WFEFASIESA-N
MW344.39 g/mol
LogP-0.27
Rot. Bonds3

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid (PubChem CID 163341528) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid
PubChem CID163341528
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid
SMILESCC(=O)O.Cc1nc(CC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cs1
InChIInChI=1S/C12H16N2O4S.C2H4O2/c1-6-13-7(5-19-6)2-10(16)14-8-3-17-12-9(15)4-18-11(8)12;1-2(3)4/h5,8-9,11-12,15H,2-4H2,1H3,(H,14,16);1H3,(H,3,4)/t8-,9-,11-,12-;/m1./s1
InChIKeyNPNZDONWIHJVGW-WFEFASIESA-N
XLogP-0.27
TPSA117.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid with MolForge

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Related Compounds

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N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
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N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid (CID 163341528) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid is CC(=O)O.Cc1nc(CC(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cs1.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid?
The InChIKey is NPNZDONWIHJVGW-WFEFASIESA-N. The full InChI is InChI=1S/C12H16N2O4S.C2H4O2/c1-6-13-7(5-19-6)2-10(16)14-8-3-17-12-9(15)4-18-11(8)12;1-2(3)4/h5,8-9,11-12,15H,2-4H2,1H3,(H,14,16);1H3,(H,3,4)/t8-,9-,11-,12-;/m1./s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid has a molecular weight of 344.39 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;acetic acid is sourced from PubChem (CID 163341528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).