2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide

C23H18N4O2S — CID 9292522

IUPAC2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H18N4O2S/c28-21(24-16-10-9-14-5-1-2-6-15(14)11-16)12-19-23(29)27-22(30-19)13-20-25-17-7-3-4-8-18(17)26-20/h1-11,19H,12-13H2,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeyMPOHQHPJXYXHOL-IBGZPJMESA-N
MW414.49 g/mol
LogP4.33
Rot. Bonds5

About 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide

2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 9292522) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
PubChem CID9292522
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
SMILESO=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H18N4O2S/c28-21(24-16-10-9-14-5-1-2-6-15(14)11-16)12-19-23(29)27-22(30-19)13-20-25-17-7-3-4-8-18(17)26-20/h1-11,19H,12-13H2,(H,24,28)(H,25,26)/t19-/m0/s1
InChIKeyMPOHQHPJXYXHOL-IBGZPJMESA-N
XLogP4.33
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5R)-2-(1,3-benzothiazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide
CID 41435638
N-naphthalen-2-yl-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 24587710
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
N-(3,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-(phenoxymethyl)-1,3-thiazol-5-yl]acetamide
CID 9419565
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
N-naphthalen-2-yl-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618393
2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135692255
N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 155956165
2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one
CID 69482952
2-[(5S)-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
CID 135691888

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide (CID 9292522) is 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide is O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
The InChIKey is MPOHQHPJXYXHOL-IBGZPJMESA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-21(24-16-10-9-14-5-1-2-6-15(14)11-16)12-19-23(29)27-22(30-19)13-20-25-17-7-3-4-8-18(17)26-20/h1-11,19H,12-13H2,(H,24,28)(H,25,26)/t19-/m0/s1.
What are the key properties of 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide?
2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 414.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-(1H-benzimidazol-2-ylmethyl)-4-oxo-1,3-thiazol-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 9292522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).