N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide

C16H12Cl2N2O2S — CID 43988847

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)c1
InChIInChI=1S/C16H12Cl2N2O2S/c1-9-3-2-4-10(7-9)22-8-13(21)19-16-20-14-11(17)5-6-12(18)15(14)23-16/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyPPORGBFVOQAFLJ-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.93
Rot. Bonds4

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 43988847) has the molecular formula C16H12Cl2N2O2S and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
PubChem CID43988847
Molecular FormulaC16H12Cl2N2O2S
Molecular Weight367.26 g/mol
Exact Mass366.00
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)c1
InChIInChI=1S/C16H12Cl2N2O2S/c1-9-3-2-4-10(7-9)22-8-13(21)19-16-20-14-11(17)5-6-12(18)15(14)23-16/h2-7H,8H2,1H3,(H,19,20,21)
InChIKeyPPORGBFVOQAFLJ-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43994670
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43952170
2-(3,4-dichlorophenoxy)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 37025669
N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 2150740
2-(3-methylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247176
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43988809
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylphenoxy)acetamide
CID 19174206
prop-2-enyl 4-methyl-2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146511
methyl 2-chloro-5-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 38236114
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide (CID 43988847) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)c1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is PPORGBFVOQAFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S/c1-9-3-2-4-10(7-9)22-8-13(21)19-16-20-14-11(17)5-6-12(18)15(14)23-16/h2-7H,8H2,1H3,(H,19,20,21).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 367.26 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 43988847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).