2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide

C23H17N3O2S2 — CID 41435638

IUPAC2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@H]1SC(Cc2nc3ccccc3s2)=NC1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H17N3O2S2/c27-20(24-16-10-9-14-5-1-2-6-15(14)11-16)12-19-23(28)26-22(30-19)13-21-25-17-7-3-4-8-18(17)29-21/h1-11,19H,12-13H2,(H,24,27)/t19-/m1/s1
InChIKeyRSAJSGRVOBZJJS-LJQANCHMSA-N
MW431.54 g/mol
LogP5.06
Rot. Bonds5

About 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide

2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 41435638) has the molecular formula C23H17N3O2S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID41435638
Molecular FormulaC23H17N3O2S2
Molecular Weight431.54 g/mol
Exact Mass431.08
IUPAC Name2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@H]1SC(Cc2nc3ccccc3s2)=NC1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H17N3O2S2/c27-20(24-16-10-9-14-5-1-2-6-15(14)11-16)12-19-23(28)26-22(30-19)13-21-25-17-7-3-4-8-18(17)29-21/h1-11,19H,12-13H2,(H,24,27)/t19-/m1/s1
InChIKeyRSAJSGRVOBZJJS-LJQANCHMSA-N
XLogP5.06
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
CID 9292522
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CID 24587710
1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-naphthalen-2-ylurea
CID 78832241
N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
CID 9419565
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide;hydrochloride
CID 119684950
1,3-benzothiazol-2-ylmethyl-[2-(3,4-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8801551
N-naphthalen-2-yl-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618393
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 86577376
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
2-[(5S)-2-amino-4-oxo-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 7164202
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18279752
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 22829849

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide (CID 41435638) is 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide is O=C(C[C@H]1SC(Cc2nc3ccccc3s2)=NC1=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is RSAJSGRVOBZJJS-LJQANCHMSA-N. The full InChI is InChI=1S/C23H17N3O2S2/c27-20(24-16-10-9-14-5-1-2-6-15(14)11-16)12-19-23(28)26-22(30-19)13-21-25-17-7-3-4-8-18(17)29-21/h1-11,19H,12-13H2,(H,24,27)/t19-/m1/s1.
What are the key properties of 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 431.54 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 41435638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).