2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H13ClN2O2S — CID 708592

IUPAC2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C16H13ClN2O2S/c1-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyGNVAANUCTNCRME-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 708592) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID708592
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1
InChIInChI=1S/C16H13ClN2O2S/c1-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyGNVAANUCTNCRME-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(2-chloro-6-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2085098
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 708592) is 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GNVAANUCTNCRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)8-10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 332.81 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 708592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).