5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide

C30H30N2O5S — CID 154664806

IUPAC5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)sn1
InChIInChI=1S/C30H30N2O5S/c31-30(33)24-16-26(38-32-24)28-29(36-19-23-14-8-3-9-15-23)27(35-18-22-12-6-2-7-13-22)25(37-28)20-34-17-21-10-4-1-5-11-21/h1-16,25,27-29H,17-20H2,(H2,31,33)/t25-,27-,28+,29-/m1/s1
InChIKeyRDQYVXANVYKBIG-HVQBEUSNSA-N
MW530.65 g/mol
LogP5.07
Rot. Bonds12

About 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide

5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide (PubChem CID 154664806) has the molecular formula C30H30N2O5S and a molecular weight of 530.65 g/mol. Its IUPAC name is 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
PubChem CID154664806
Molecular FormulaC30H30N2O5S
Molecular Weight530.65 g/mol
Exact Mass530.19
IUPAC Name5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide
SMILESNC(=O)c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)sn1
InChIInChI=1S/C30H30N2O5S/c31-30(33)24-16-26(38-32-24)28-29(36-19-23-14-8-3-9-15-23)27(35-18-22-12-6-2-7-13-22)25(37-28)20-34-17-21-10-4-1-5-11-21/h1-16,25,27-29H,17-20H2,(H2,31,33)/t25-,27-,28+,29-/m1/s1
InChIKeyRDQYVXANVYKBIG-HVQBEUSNSA-N
XLogP5.07
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-1,2-thiazole-3-carboxylic acid
CID 170336695
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,3-oxazole-2-carboxamide
CID 154664850
4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-1H-imidazole-5-carboxamide
CID 70504081
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
dimethyl 4-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyridazine-3,6-dicarboxylate
CID 134912960
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
2-[(2R,3R,4S,5R,6R)-5-hydroxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetamide
CID 138645338
5-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyridin-2-amine
CID 10951144
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide (CID 154664806) is 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide is NC(=O)c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)sn1.
What is the InChIKey of 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide?
The InChIKey is RDQYVXANVYKBIG-HVQBEUSNSA-N. The full InChI is InChI=1S/C30H30N2O5S/c31-30(33)24-16-26(38-32-24)28-29(36-19-23-14-8-3-9-15-23)27(35-18-22-12-6-2-7-13-22)25(37-28)20-34-17-21-10-4-1-5-11-21/h1-16,25,27-29H,17-20H2,(H2,31,33)/t25-,27-,28+,29-/m1/s1.
What are the key properties of 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide?
5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 5.07, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 154664806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).