N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide

C17H15ClN2O2S — CID 43988809

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-10-3-5-12(6-4-10)22-9-15(21)19-17-20-16-11(2)13(18)7-8-14(16)23-17/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyLWSVLPPMWRUDDD-UHFFFAOYSA-N
MW346.84 g/mol
LogP4.58
Rot. Bonds4

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 43988809) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID43988809
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1
InChIInChI=1S/C17H15ClN2O2S/c1-10-3-5-12(6-4-10)22-9-15(21)19-17-20-16-11(2)13(18)7-8-14(16)23-17/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyLWSVLPPMWRUDDD-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-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 43988757
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 19210112
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7192499
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)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 43961488
1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121080807
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
CID 35569941
1-tert-butyl-3-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)urea
CID 121082431
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43988847
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 2150698
4-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192526

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide (CID 43988809) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is LWSVLPPMWRUDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-10-3-5-12(6-4-10)22-9-15(21)19-17-20-16-11(2)13(18)7-8-14(16)23-17/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)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 N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 43988809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).