N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide

C20H16N2OS2 — CID 9457701

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1ccc2nc(NC(=O)CSc3cccc4ccccc34)sc2c1
InChIInChI=1S/C20H16N2OS2/c1-13-9-10-16-18(11-13)25-20(21-16)22-19(23)12-24-17-8-4-6-14-5-2-3-7-15(14)17/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyKCQNRMAVHQXVLB-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.49
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide (PubChem CID 9457701) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
PubChem CID9457701
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
SMILESCc1ccc2nc(NC(=O)CSc3cccc4ccccc34)sc2c1
InChIInChI=1S/C20H16N2OS2/c1-13-9-10-16-18(11-13)25-20(21-16)22-19(23)12-24-17-8-4-6-14-5-2-3-7-15(14)17/h2-11H,12H2,1H3,(H,21,22,23)
InChIKeyKCQNRMAVHQXVLB-UHFFFAOYSA-N
XLogP5.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4609215
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936631
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24523623
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16545610
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2701434
2-[[3-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18898507
N-(3-bromophenyl)-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 60571266
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23828313
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 17447818
8-[[4-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785162
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24584663

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide (CID 9457701) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide is Cc1ccc2nc(NC(=O)CSc3cccc4ccccc34)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
The InChIKey is KCQNRMAVHQXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-13-9-10-16-18(11-13)25-20(21-16)22-19(23)12-24-17-8-4-6-14-5-2-3-7-15(14)17/h2-11H,12H2,1H3,(H,21,22,23).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide has a molecular weight of 364.50 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide is sourced from PubChem (CID 9457701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).