N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide

C16H13ClN2OS2 — CID 18586778

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C16H13ClN2OS2/c1-21-11-7-5-10(6-8-11)9-14(20)18-16-19-15-12(17)3-2-4-13(15)22-16/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyANXBNHJOPUCMEM-UHFFFAOYSA-N
MW348.88 g/mol
LogP4.85
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide

N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide (PubChem CID 18586778) has the molecular formula C16H13ClN2OS2 and a molecular weight of 348.88 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
PubChem CID18586778
Molecular FormulaC16H13ClN2OS2
Molecular Weight348.88 g/mol
Exact Mass348.02
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(CC(=O)Nc2nc3c(Cl)cccc3s2)cc1
InChIInChI=1S/C16H13ClN2OS2/c1-21-11-7-5-10(6-8-11)9-14(20)18-16-19-15-12(17)3-2-4-13(15)22-16/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyANXBNHJOPUCMEM-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254503
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546262
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-chloro-1,3-benzothiazol-2-yl)hexanamide
CID 3626917
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
2-(4-propan-2-ylsulfanylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028805
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43952342
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544666

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide (CID 18586778) is N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide is CSc1ccc(CC(=O)Nc2nc3c(Cl)cccc3s2)cc1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide?
The InChIKey is ANXBNHJOPUCMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS2/c1-21-11-7-5-10(6-8-11)9-14(20)18-16-19-15-12(17)3-2-4-13(15)22-16/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide has a molecular weight of 348.88 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 18586778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).