2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide

C17H16N2O2S3 — CID 41320931

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2nc3ccc(SC)cc3s2)cc1
InChIInChI=1S/C17H16N2O2S3/c1-21-11-3-5-12(6-4-11)23-10-16(20)19-17-18-14-8-7-13(22-2)9-15(14)24-17/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyPKOBVFKRGQRIGS-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.76
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41320931) has the molecular formula C17H16N2O2S3 and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID41320931
Molecular FormulaC17H16N2O2S3
Molecular Weight376.53 g/mol
Exact Mass376.04
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2nc3ccc(SC)cc3s2)cc1
InChIInChI=1S/C17H16N2O2S3/c1-21-11-3-5-12(6-4-11)23-10-16(20)19-17-18-14-8-7-13(22-2)9-15(14)24-17/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyPKOBVFKRGQRIGS-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081181
N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 23095842
N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide
CID 7615110
2-(4-fluorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600474
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 7545579
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545140
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655324
2-(4-chlorophenyl)sulfanyl-N'-(6-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600488
8-[[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 22785163
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide (CID 41320931) is 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide is COc1ccc(SCC(=O)Nc2nc3ccc(SC)cc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PKOBVFKRGQRIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S3/c1-21-11-3-5-12(6-4-11)23-10-16(20)19-17-18-14-8-7-13(22-2)9-15(14)24-17/h3-9H,10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 376.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41320931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).