N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide

C16H12Cl2N2O2S2 — CID 41320653

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C16H12Cl2N2O2S2/c1-22-9-2-4-10(5-3-9)23-8-13(21)19-16-20-14-11(17)6-7-12(18)15(14)24-16/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyFEBUJUIHIGAERL-UHFFFAOYSA-N
MW399.32 g/mol
LogP5.34
Rot. Bonds5

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 41320653) has the molecular formula C16H12Cl2N2O2S2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID41320653
Molecular FormulaC16H12Cl2N2O2S2
Molecular Weight399.32 g/mol
Exact Mass397.97
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1
InChIInChI=1S/C16H12Cl2N2O2S2/c1-22-9-2-4-10(5-3-9)23-8-13(21)19-16-20-14-11(17)6-7-12(18)15(14)24-16/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyFEBUJUIHIGAERL-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254754
N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 2150740
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320662
N'-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)sulfanylacetohydrazide
CID 41074275
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254756
2-(4-methoxyphenyl)sulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 41320506
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254503
2-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 41320931
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41322234
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 7590122
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362606

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 41320653) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is FEBUJUIHIGAERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S2/c1-22-9-2-4-10(5-3-9)23-8-13(21)19-16-20-14-11(17)6-7-12(18)15(14)24-16/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 399.32 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 41320653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).