N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

C18H18N2OS2 — CID 16545610

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C18H18N2OS2/c1-12-3-6-14(7-4-12)10-22-11-17(21)20-18-19-15-8-5-13(2)9-16(15)23-18/h3-9H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyGCKMCUYLAHCFEQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.79
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 16545610) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID16545610
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C18H18N2OS2/c1-12-3-6-14(7-4-12)10-22-11-17(21)20-18-19-15-8-5-13(2)9-16(15)23-18/h3-9H,10-11H2,1-2H3,(H,19,20,21)
InChIKeyGCKMCUYLAHCFEQ-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 963436
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
N-(3-bromophenyl)-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 60571266
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
N-(6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9457701
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
2-benzylsulfanyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4569770
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352
2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 46305808
2-(1-ethyltetrazol-5-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 17447818
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614958

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 16545610) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)Nc2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is GCKMCUYLAHCFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-12-3-6-14(7-4-12)10-22-11-17(21)20-18-19-15-8-5-13(2)9-16(15)23-18/h3-9H,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 342.49 g/mol, XLogP of 4.79, 5 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-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 16545610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).