2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide

C19H13N3O3S — CID 16850510

IUPAC2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1nc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C19H13N3O3S/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-19-20-16-11-14(22(24)25)8-9-17(16)26-19/h1-9,11H,10H2,(H,20,21,23)
InChIKeyQBTZXASHQKIXFD-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.54
Rot. Bonds4

About 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide

2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16850510) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
PubChem CID16850510
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1nc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C19H13N3O3S/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-19-20-16-11-14(22(24)25)8-9-17(16)26-19/h1-9,11H,10H2,(H,20,21,23)
InChIKeyQBTZXASHQKIXFD-UHFFFAOYSA-N
XLogP4.54
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850583
N-(5-nitro-1,3-benzothiazol-2-yl)pentanamide
CID 16850497
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 3636961
2-chloro-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850432
2-[[(2-naphthalen-1-ylacetyl)amino]methyl]-4-nitrophenolate
CID 8699845
N-[(5-nitro-1,3-benzothiazol-2-yl)carbamothioyl]butanamide
CID 46192850
2-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850541
2-(8-methyl-2-oxochromen-4-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 54584605
N-(5-nitro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 16850445
ethyl 2-[(5-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
CID 139222058
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 694783
N-(5-nitro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 16850466

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide (CID 16850510) is 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide is O=C(Cc1cccc2ccccc12)Nc1nc2cc([N+](=O)[O-])ccc2s1.
What is the InChIKey of 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is QBTZXASHQKIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-19-20-16-11-14(22(24)25)8-9-17(16)26-19/h1-9,11H,10H2,(H,20,21,23).
What are the key properties of 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide?
2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16850510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).