N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide

C18H19N3O7S — CID 46943452

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3sc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nc3c2)no1
InChIInChI=1S/C18H19N3O7S/c1-7-4-12(21-28-7)20-17(26)8-2-3-11-9(5-8)19-18(29-11)16-15(25)14(24)13(23)10(6-22)27-16/h2-5,10,13-16,22-25H,6H2,1H3,(H,20,21,26)/t10-,13+,14+,15-,16-/m1/s1
InChIKeyNKAJPGYUQBNNDQ-NVAJDRRBSA-N
MW421.43 g/mol
LogP0.36
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide (PubChem CID 46943452) has the molecular formula C18H19N3O7S and a molecular weight of 421.43 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide
PubChem CID46943452
Molecular FormulaC18H19N3O7S
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3sc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nc3c2)no1
InChIInChI=1S/C18H19N3O7S/c1-7-4-12(21-28-7)20-17(26)8-2-3-11-9(5-8)19-18(29-11)16-15(25)14(24)13(23)10(6-22)27-16/h2-5,10,13-16,22-25H,6H2,1H3,(H,20,21,26)/t10-,13+,14+,15-,16-/m1/s1
InChIKeyNKAJPGYUQBNNDQ-NVAJDRRBSA-N
XLogP0.36
TPSA158.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide
CID 46942453
(2R,3R,4S,5R)-2-(6-chloro-1,3-benzothiazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57499565
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 110765610
2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9135477
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 62165645
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
N-naphthalen-2-yl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 78162415
3-chloro-4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 110764772
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide (CID 46943452) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide is Cc1cc(NC(=O)c2ccc3sc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)nc3c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is NKAJPGYUQBNNDQ-NVAJDRRBSA-N. The full InChI is InChI=1S/C18H19N3O7S/c1-7-4-12(21-28-7)20-17(26)8-2-3-11-9(5-8)19-18(29-11)16-15(25)14(24)13(23)10(6-22)27-16/h2-5,10,13-16,22-25H,6H2,1H3,(H,20,21,26)/t10-,13+,14+,15-,16-/m1/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 0.36, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 46943452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).