2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide

C23H20N2O4S — CID 46942453

IUPAC2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1
InChIInChI=1S/C23H20N2O4S/c26-12-20-18(27)11-19(29-20)23-25-17-10-14(8-9-21(17)30-23)22(28)24-16-7-3-5-13-4-1-2-6-15(13)16/h1-10,18-20,26-27H,11-12H2,(H,24,28)/t18-,19+,20+/m0/s1
InChIKeyNAZIJUXTQMVVRK-XUVXKRRUSA-N
MW420.49 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide

2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide (PubChem CID 46942453) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide
PubChem CID46942453
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1
InChIInChI=1S/C23H20N2O4S/c26-12-20-18(27)11-19(29-20)23-25-17-10-14(8-9-21(17)30-23)22(28)24-16-7-3-5-13-4-1-2-6-15(13)16/h1-10,18-20,26-27H,11-12H2,(H,24,28)/t18-,19+,20+/m0/s1
InChIKeyNAZIJUXTQMVVRK-XUVXKRRUSA-N
XLogP3.88
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 46948637
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
N-(6-chloro-1,3-benzothiazol-2-yl)-3-[3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 123252081
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
3-(2-aminoethyl)-4-(2-hydroxyethyl)-N-naphthalen-1-ylbenzamide
CID 170293328
N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40832647
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
[4-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]phenyl]-phenylmethanone
CID 135021118
N-[5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 46943595
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 3850892
N-naphthalen-1-yl-1,2,5-thiadiazole-3-carboxamide
CID 972624

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide (CID 46942453) is 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide is O=C(Nc1cccc2ccccc12)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1.
What is the InChIKey of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide?
The InChIKey is NAZIJUXTQMVVRK-XUVXKRRUSA-N. The full InChI is InChI=1S/C23H20N2O4S/c26-12-20-18(27)11-19(29-20)23-25-17-10-14(8-9-21(17)30-23)22(28)24-16-7-3-5-13-4-1-2-6-15(13)16/h1-10,18-20,26-27H,11-12H2,(H,24,28)/t18-,19+,20+/m0/s1.
What are the key properties of 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide?
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-naphthalen-1-yl-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 46942453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).