2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide

C15H10Cl2N2OS2 — CID 1371097

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2OS2/c16-9-4-3-5-10(17)14(9)19-13(20)8-21-15-18-11-6-1-2-7-12(11)22-15/h1-7H,8H2,(H,19,20)
InChIKeyVLDITSQWFGGLJC-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.33
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide (PubChem CID 1371097) has the molecular formula C15H10Cl2N2OS2 and a molecular weight of 369.30 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
PubChem CID1371097
Molecular FormulaC15H10Cl2N2OS2
Molecular Weight369.30 g/mol
Exact Mass367.96
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H10Cl2N2OS2/c16-9-4-3-5-10(17)14(9)19-13(20)8-21-15-18-11-6-1-2-7-12(11)22-15/h1-7H,8H2,(H,19,20)
InChIKeyVLDITSQWFGGLJC-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-chlorophenyl)prop-2-ynyl]acetamide
CID 90548578
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 4177656
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 742353
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 17386379
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 687281
2-[[5-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 17059923
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 627918
2-[[5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6492842
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809634

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide (CID 1371097) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is VLDITSQWFGGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS2/c16-9-4-3-5-10(17)14(9)19-13(20)8-21-15-18-11-6-1-2-7-12(11)22-15/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 369.30 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 1371097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).