2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

C17H15ClN2O2S — CID 17100966

IUPAC2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(C)c2sc(NC(=O)COc3ccccc3Cl)nc12
InChIInChI=1S/C17H15ClN2O2S/c1-10-7-8-11(2)16-15(10)20-17(23-16)19-14(21)9-22-13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyZHTGLNKZDUSEGI-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.58
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide

2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 17100966) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID17100966
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(C)c2sc(NC(=O)COc3ccccc3Cl)nc12
InChIInChI=1S/C17H15ClN2O2S/c1-10-7-8-11(2)16-15(10)20-17(23-16)19-14(21)9-22-13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyZHTGLNKZDUSEGI-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(2-chlorophenoxy)acetamide
CID 19178556
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
2-(2-chlorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4855744
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(2-chlorophenoxy)-N-[6-[[2-(2-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1342446
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
N-(6-amino-2-methyl-3-pyridinyl)-2-(2-chlorophenoxy)acetamide
CID 82331060
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
3-[[2-(2-chlorophenoxy)acetyl]amino]-4-methylthiophene-2-carboxylic acid
CID 114915099
2-(2-chlorophenoxy)-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39043657
2-(4-ethoxyphenoxy)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43988981

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide (CID 17100966) is 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(C)c2sc(NC(=O)COc3ccccc3Cl)nc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is ZHTGLNKZDUSEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-7-8-11(2)16-15(10)20-17(23-16)19-14(21)9-22-13-6-4-3-5-12(13)18/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide?
2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 17100966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).